USER MOD reduce.3.24.130724 H: found=0, std=0, add=646, rem=0, adj=43 USER MOD reduce.3.24.130724 removed 647 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 29 SER OG : rot 150:sc= 0.945 USER MOD Set 1.2: A 73 THR OG1 : rot -107:sc= 1.24 USER MOD Set 2.1: A 56 ASN :FLIP amide:sc= -0.147 F(o=-6.8,f=-4.7) USER MOD Set 2.2: A 59 GLN :FLIP amide:sc= -4.52! C(o=-5!,f=-4.7!) USER MOD Set 3.1: A 23 ASN :FLIP amide:sc= 0.599 F(o=-0.39,f=1.3) USER MOD Set 3.2: A 96 THR OG1 : rot 134:sc= 0.669 USER MOD Set 4.1: A 22 THR OG1 : rot -130:sc= -1.48 USER MOD Set 4.2: A 30 LYS NZ :NH3+ 174:sc= 0.811 (180deg=0.782) USER MOD Single : A 11 THR OG1 : rot 28:sc= 0.332 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 21 ASN :FLIP amide:sc= -0.696 F(o=-1.4,f=-0.7) USER MOD Single : A 25 ASN : amide:sc= -1.23 K(o=-1.2,f=-2.9!) USER MOD Single : A 26 THR OG1 : rot 180:sc= -0.0634 USER MOD Single : A 27 THR OG1 : rot 180:sc= -0.524 USER MOD Single : A 31 GLN :FLIP amide:sc= -0.42 F(o=-1.2,f=-0.42) USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 THR OG1 : rot 150:sc= -0.905 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 51 THR OG1 : rot 76:sc= 0.318 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 180:sc= -0.77 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 57 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 64 ASN : amide:sc= -3.51 K(o=-3.5,f=-5.6!) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 SER OG : rot -124:sc= 1.02 USER MOD Single : A 79 ASN : amide:sc= -1.07 K(o=-1.1,f=-2.5!) USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 TYR OH : rot 0:sc= -0.579 USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 92 ASN :FLIP amide:sc= -0.16 F(o=-1,f=-0.16) USER MOD Single : A 93 THR OG1 : rot -154:sc= 0.537 USER MOD Single : A 98 ASN :FLIP amide:sc= 0 F(o=-0.51,f=0) USER MOD Single : A 99 LYS NZ :NH3+ -107:sc= 0.171 (180deg=0) USER MOD Single : A 100 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 141 N THR A 11 15.355 19.352 4.246 1.00 63.13 N ATOM 142 CA THR A 11 16.118 20.518 4.673 1.00 12.02 C ATOM 143 C THR A 11 15.298 21.397 5.611 1.00 25.14 C ATOM 144 O THR A 11 14.894 22.502 5.248 1.00 12.21 O ATOM 145 CB THR A 11 16.577 21.361 3.469 1.00 42.22 C ATOM 146 OG1 THR A 11 17.007 20.504 2.406 1.00 70.53 O ATOM 147 CG2 THR A 11 17.711 22.295 3.863 1.00 1.53 C ATOM 0 HA THR A 11 16.996 20.146 5.202 1.00 12.02 H new ATOM 0 HB THR A 11 15.732 21.962 3.132 1.00 42.22 H new ATOM 0 HG1 THR A 11 16.533 19.648 2.464 1.00 70.53 H new ATOM 0 HG21 THR A 11 18.018 22.880 2.996 1.00 1.53 H new ATOM 0 HG22 THR A 11 17.372 22.966 4.652 1.00 1.53 H new ATOM 0 HG23 THR A 11 18.556 21.709 4.223 1.00 1.53 H new ATOM 155 N LEU A 12 15.057 20.900 6.820 1.00 44.34 N ATOM 156 CA LEU A 12 14.286 21.641 7.812 1.00 42.54 C ATOM 157 C LEU A 12 15.015 22.915 8.228 1.00 64.12 C ATOM 158 O LEU A 12 16.125 22.862 8.759 1.00 72.45 O ATOM 159 CB LEU A 12 14.022 20.767 9.039 1.00 42.14 C ATOM 160 CG LEU A 12 13.222 19.488 8.792 1.00 73.14 C ATOM 161 CD1 LEU A 12 14.111 18.264 8.946 1.00 35.33 C ATOM 162 CD2 LEU A 12 12.034 19.410 9.740 1.00 2.41 C ATOM 0 H LEU A 12 15.384 19.987 7.136 1.00 44.34 H new ATOM 0 HA LEU A 12 13.334 21.920 7.361 1.00 42.54 H new ATOM 0 HB2 LEU A 12 14.981 20.493 9.478 1.00 42.14 H new ATOM 0 HB3 LEU A 12 13.492 21.366 9.780 1.00 42.14 H new ATOM 0 HG LEU A 12 12.844 19.511 7.770 1.00 73.14 H new ATOM 0 HD11 LEU A 12 13.524 17.363 8.767 1.00 35.33 H new ATOM 0 HD12 LEU A 12 14.928 18.315 8.226 1.00 35.33 H new ATOM 0 HD13 LEU A 12 14.519 18.236 9.956 1.00 35.33 H new ATOM 0 HD21 LEU A 12 11.476 18.493 9.550 1.00 2.41 H new ATOM 0 HD22 LEU A 12 12.390 19.411 10.770 1.00 2.41 H new ATOM 0 HD23 LEU A 12 11.384 20.270 9.580 1.00 2.41 H new ATOM 174 N SER A 13 14.383 24.059 7.985 1.00 24.22 N ATOM 175 CA SER A 13 14.973 25.346 8.333 1.00 13.43 C ATOM 176 C SER A 13 14.203 26.005 9.474 1.00 40.51 C ATOM 177 O SER A 13 14.796 26.511 10.427 1.00 31.42 O ATOM 178 CB SER A 13 14.989 26.270 7.114 1.00 64.02 C ATOM 179 OG SER A 13 15.184 27.620 7.499 1.00 75.21 O ATOM 0 H SER A 13 13.463 24.121 7.549 1.00 24.22 H new ATOM 0 HA SER A 13 15.998 25.171 8.661 1.00 13.43 H new ATOM 0 HB2 SER A 13 15.783 25.965 6.433 1.00 64.02 H new ATOM 0 HB3 SER A 13 14.049 26.176 6.570 1.00 64.02 H new ATOM 0 HG SER A 13 15.192 28.190 6.702 1.00 75.21 H new ATOM 185 N SER A 14 12.878 25.996 9.368 1.00 0.24 N ATOM 186 CA SER A 14 12.026 26.596 10.388 1.00 13.02 C ATOM 187 C SER A 14 10.730 25.806 10.547 1.00 24.22 C ATOM 188 O SER A 14 10.234 25.208 9.592 1.00 63.31 O ATOM 189 CB SER A 14 11.709 28.049 10.029 1.00 62.15 C ATOM 190 OG SER A 14 12.355 28.946 10.915 1.00 13.14 O ATOM 0 H SER A 14 12.372 25.580 8.586 1.00 0.24 H new ATOM 0 HA SER A 14 12.565 26.572 11.335 1.00 13.02 H new ATOM 0 HB2 SER A 14 12.026 28.252 9.006 1.00 62.15 H new ATOM 0 HB3 SER A 14 10.631 28.209 10.066 1.00 62.15 H new ATOM 0 HG SER A 14 12.138 29.868 10.663 1.00 13.14 H new ATOM 196 N ILE A 15 10.188 25.808 11.760 1.00 4.43 N ATOM 197 CA ILE A 15 8.951 25.093 12.045 1.00 54.20 C ATOM 198 C ILE A 15 8.036 25.914 12.948 1.00 44.42 C ATOM 199 O ILE A 15 8.504 26.669 13.801 1.00 71.32 O ATOM 200 CB ILE A 15 9.227 23.734 12.713 1.00 30.54 C ATOM 201 CG1 ILE A 15 10.252 22.940 11.901 1.00 60.05 C ATOM 202 CG2 ILE A 15 7.935 22.944 12.862 1.00 10.11 C ATOM 203 CD1 ILE A 15 9.750 22.525 10.535 1.00 31.24 C ATOM 0 H ILE A 15 10.587 26.297 12.561 1.00 4.43 H new ATOM 0 HA ILE A 15 8.457 24.925 11.088 1.00 54.20 H new ATOM 0 HB ILE A 15 9.638 23.912 13.707 1.00 30.54 H new ATOM 0 HG12 ILE A 15 11.153 23.541 11.781 1.00 60.05 H new ATOM 0 HG13 ILE A 15 10.536 22.049 12.461 1.00 60.05 H new ATOM 0 HG21 ILE A 15 8.147 21.986 13.336 1.00 10.11 H new ATOM 0 HG22 ILE A 15 7.234 23.506 13.478 1.00 10.11 H new ATOM 0 HG23 ILE A 15 7.497 22.773 11.878 1.00 10.11 H new ATOM 0 HD11 ILE A 15 10.529 21.966 10.016 1.00 31.24 H new ATOM 0 HD12 ILE A 15 8.866 21.897 10.647 1.00 31.24 H new ATOM 0 HD13 ILE A 15 9.493 23.413 9.957 1.00 31.24 H new ATOM 215 N SER A 16 6.730 25.761 12.755 1.00 22.11 N ATOM 216 CA SER A 16 5.749 26.490 13.551 1.00 63.33 C ATOM 217 C SER A 16 4.824 25.526 14.288 1.00 2.43 C ATOM 218 O SER A 16 4.252 24.617 13.688 1.00 74.42 O ATOM 219 CB SER A 16 4.927 27.421 12.658 1.00 62.15 C ATOM 220 OG SER A 16 5.218 28.780 12.934 1.00 52.15 O ATOM 0 H SER A 16 6.326 25.139 12.055 1.00 22.11 H new ATOM 0 HA SER A 16 6.286 27.086 14.288 1.00 63.33 H new ATOM 0 HB2 SER A 16 5.139 27.206 11.611 1.00 62.15 H new ATOM 0 HB3 SER A 16 3.864 27.235 12.813 1.00 62.15 H new ATOM 0 HG SER A 16 4.681 29.355 12.349 1.00 52.15 H new ATOM 226 N ILE A 17 4.684 25.734 15.593 1.00 33.32 N ATOM 227 CA ILE A 17 3.828 24.885 16.413 1.00 11.11 C ATOM 228 C ILE A 17 2.834 25.718 17.216 1.00 43.25 C ATOM 229 O ILE A 17 3.164 26.802 17.698 1.00 72.23 O ATOM 230 CB ILE A 17 4.655 24.020 17.382 1.00 63.32 C ATOM 231 CG1 ILE A 17 3.810 22.861 17.914 1.00 71.31 C ATOM 232 CG2 ILE A 17 5.184 24.867 18.529 1.00 1.23 C ATOM 233 CD1 ILE A 17 4.539 21.990 18.913 1.00 61.44 C ATOM 0 H ILE A 17 5.152 26.482 16.105 1.00 33.32 H new ATOM 0 HA ILE A 17 3.284 24.233 15.730 1.00 11.11 H new ATOM 0 HB ILE A 17 5.505 23.606 16.840 1.00 63.32 H new ATOM 0 HG12 ILE A 17 2.911 23.262 18.382 1.00 71.31 H new ATOM 0 HG13 ILE A 17 3.485 22.245 17.076 1.00 71.31 H new ATOM 0 HG21 ILE A 17 5.766 24.241 19.205 1.00 1.23 H new ATOM 0 HG22 ILE A 17 5.818 25.661 18.133 1.00 1.23 H new ATOM 0 HG23 ILE A 17 4.348 25.307 19.072 1.00 1.23 H new ATOM 0 HD11 ILE A 17 3.879 21.189 19.247 1.00 61.44 H new ATOM 0 HD12 ILE A 17 5.423 21.559 18.443 1.00 61.44 H new ATOM 0 HD13 ILE A 17 4.841 22.593 19.770 1.00 61.44 H new ATOM 245 N SER A 18 1.617 25.204 17.356 1.00 33.21 N ATOM 246 CA SER A 18 0.573 25.901 18.099 1.00 44.11 C ATOM 247 C SER A 18 -0.163 24.943 19.031 1.00 44.13 C ATOM 248 O SER A 18 -1.298 24.540 18.777 1.00 21.43 O ATOM 249 CB SER A 18 -0.418 26.555 17.135 1.00 51.33 C ATOM 250 OG SER A 18 0.235 27.479 16.282 1.00 54.55 O ATOM 0 H SER A 18 1.329 24.307 16.965 1.00 33.21 H new ATOM 0 HA SER A 18 1.046 26.675 18.703 1.00 44.11 H new ATOM 0 HB2 SER A 18 -0.909 25.787 16.537 1.00 51.33 H new ATOM 0 HB3 SER A 18 -1.197 27.065 17.701 1.00 51.33 H new ATOM 0 HG SER A 18 -0.420 27.882 15.674 1.00 54.55 H new ATOM 256 N PRO A 19 0.499 24.569 20.136 1.00 14.52 N ATOM 257 CA PRO A 19 -0.073 23.655 21.129 1.00 2.14 C ATOM 258 C PRO A 19 -1.218 24.290 21.911 1.00 71.04 C ATOM 259 O PRO A 19 -1.380 25.511 21.911 1.00 63.30 O ATOM 260 CB PRO A 19 1.107 23.357 22.058 1.00 43.33 C ATOM 261 CG PRO A 19 2.004 24.540 21.922 1.00 34.41 C ATOM 262 CD PRO A 19 1.855 25.011 20.502 1.00 12.42 C ATOM 0 HA PRO A 19 -0.504 22.768 20.665 1.00 2.14 H new ATOM 0 HB2 PRO A 19 0.777 23.227 23.089 1.00 43.33 H new ATOM 0 HB3 PRO A 19 1.617 22.438 21.768 1.00 43.33 H new ATOM 0 HG2 PRO A 19 1.724 25.325 22.625 1.00 34.41 H new ATOM 0 HG3 PRO A 19 3.038 24.272 22.138 1.00 34.41 H new ATOM 0 HD2 PRO A 19 1.959 26.093 20.425 1.00 12.42 H new ATOM 0 HD3 PRO A 19 2.610 24.571 19.851 1.00 12.42 H new ATOM 270 N ILE A 20 -2.010 23.455 22.575 1.00 64.43 N ATOM 271 CA ILE A 20 -3.139 23.935 23.361 1.00 2.51 C ATOM 272 C ILE A 20 -3.211 23.227 24.710 1.00 43.52 C ATOM 273 O ILE A 20 -3.327 22.005 24.775 1.00 72.43 O ATOM 274 CB ILE A 20 -4.471 23.732 22.616 1.00 51.43 C ATOM 275 CG1 ILE A 20 -4.383 24.311 21.202 1.00 12.52 C ATOM 276 CG2 ILE A 20 -5.613 24.376 23.388 1.00 53.04 C ATOM 277 CD1 ILE A 20 -4.271 23.257 20.123 1.00 4.33 C ATOM 0 H ILE A 20 -1.890 22.442 22.584 1.00 64.43 H new ATOM 0 HA ILE A 20 -2.981 25.001 23.521 1.00 2.51 H new ATOM 0 HB ILE A 20 -4.668 22.663 22.539 1.00 51.43 H new ATOM 0 HG12 ILE A 20 -5.266 24.921 21.012 1.00 12.52 H new ATOM 0 HG13 ILE A 20 -3.519 24.973 21.143 1.00 12.52 H new ATOM 0 HG21 ILE A 20 -6.548 24.224 22.849 1.00 53.04 H new ATOM 0 HG22 ILE A 20 -5.686 23.922 24.376 1.00 53.04 H new ATOM 0 HG23 ILE A 20 -5.424 25.444 23.493 1.00 53.04 H new ATOM 0 HD11 ILE A 20 -4.213 23.740 19.147 1.00 4.33 H new ATOM 0 HD12 ILE A 20 -3.373 22.662 20.288 1.00 4.33 H new ATOM 0 HD13 ILE A 20 -5.147 22.609 20.155 1.00 4.33 H new ATOM 289 N ASN A 21 -3.142 24.006 25.785 1.00 71.21 N ATOM 290 CA ASN A 21 -3.201 23.453 27.133 1.00 3.44 C ATOM 291 C ASN A 21 -4.623 23.026 27.485 1.00 45.02 C ATOM 292 O ASN A 21 -5.512 23.862 27.647 1.00 33.23 O ATOM 293 CB ASN A 21 -2.699 24.481 28.150 1.00 30.21 C ATOM 294 CG ASN A 21 -3.403 25.817 28.017 1.00 51.40 C ATOM 295 OD1 ASN A 21 -2.898 26.666 27.130 1.00 63.03 O flip ATOM 296 ND2 ASN A 21 -4.390 26.083 28.704 1.00 43.34 N flip ATOM 0 H ASN A 21 -3.045 25.021 25.749 1.00 71.21 H new ATOM 0 HA ASN A 21 -2.558 22.573 27.166 1.00 3.44 H new ATOM 0 HB2 ASN A 21 -2.848 24.094 29.158 1.00 30.21 H new ATOM 0 HB3 ASN A 21 -1.626 24.624 28.019 1.00 30.21 H new ATOM 0 HD21 ASN A 21 -4.744 25.400 29.374 1.00 43.34 H new ATOM 0 HD22 ASN A 21 -4.853 26.986 28.603 1.00 43.34 H new ATOM 303 N THR A 22 -4.830 21.718 27.602 1.00 42.05 N ATOM 304 CA THR A 22 -6.143 21.179 27.933 1.00 24.20 C ATOM 305 C THR A 22 -6.050 20.163 29.066 1.00 3.21 C ATOM 306 O THR A 22 -4.987 19.599 29.321 1.00 45.12 O ATOM 307 CB THR A 22 -6.800 20.509 26.711 1.00 3.23 C ATOM 308 OG1 THR A 22 -6.350 21.139 25.507 1.00 63.25 O ATOM 309 CG2 THR A 22 -8.316 20.594 26.798 1.00 11.41 C ATOM 0 H THR A 22 -4.105 21.012 27.472 1.00 42.05 H new ATOM 0 HA THR A 22 -6.759 22.020 28.252 1.00 24.20 H new ATOM 0 HB THR A 22 -6.511 19.458 26.701 1.00 3.23 H new ATOM 0 HG1 THR A 22 -7.123 21.369 24.950 1.00 63.25 H new ATOM 0 HG21 THR A 22 -8.758 20.115 25.925 1.00 11.41 H new ATOM 0 HG22 THR A 22 -8.658 20.088 27.701 1.00 11.41 H new ATOM 0 HG23 THR A 22 -8.620 21.640 26.831 1.00 11.41 H new ATOM 317 N ASN A 23 -7.170 19.935 29.743 1.00 74.41 N ATOM 318 CA ASN A 23 -7.215 18.986 30.850 1.00 62.24 C ATOM 319 C ASN A 23 -7.986 17.729 30.458 1.00 30.01 C ATOM 320 O ASN A 23 -9.024 17.805 29.801 1.00 54.43 O ATOM 321 CB ASN A 23 -7.860 19.632 32.077 1.00 13.01 C ATOM 322 CG ASN A 23 -7.379 21.052 32.303 1.00 55.52 C ATOM 323 OD1 ASN A 23 -6.072 21.259 32.193 1.00 13.31 O flip ATOM 324 ND2 ASN A 23 -8.174 21.953 32.572 1.00 33.12 N flip ATOM 0 H ASN A 23 -8.059 20.394 29.545 1.00 74.41 H new ATOM 0 HA ASN A 23 -6.191 18.701 31.094 1.00 62.24 H new ATOM 0 HB2 ASN A 23 -8.943 19.633 31.956 1.00 13.01 H new ATOM 0 HB3 ASN A 23 -7.638 19.031 32.959 1.00 13.01 H new ATOM 0 HD21 ASN A 23 -9.170 21.748 32.647 1.00 33.12 H new ATOM 0 HD22 ASN A 23 -7.836 22.904 32.720 1.00 33.12 H new ATOM 331 N ILE A 24 -7.471 16.574 30.867 1.00 52.22 N ATOM 332 CA ILE A 24 -8.112 15.302 30.560 1.00 32.53 C ATOM 333 C ILE A 24 -8.214 14.424 31.803 1.00 30.12 C ATOM 334 O ILE A 24 -7.429 14.563 32.740 1.00 44.23 O ATOM 335 CB ILE A 24 -7.347 14.535 29.466 1.00 62.14 C ATOM 336 CG1 ILE A 24 -5.871 14.396 29.846 1.00 14.23 C ATOM 337 CG2 ILE A 24 -7.490 15.241 28.126 1.00 44.52 C ATOM 338 CD1 ILE A 24 -5.103 13.448 28.953 1.00 74.43 C ATOM 0 H ILE A 24 -6.612 16.493 31.411 1.00 52.22 H new ATOM 0 HA ILE A 24 -9.114 15.533 30.197 1.00 32.53 H new ATOM 0 HB ILE A 24 -7.775 13.537 29.377 1.00 62.14 H new ATOM 0 HG12 ILE A 24 -5.401 15.379 29.808 1.00 14.23 H new ATOM 0 HG13 ILE A 24 -5.801 14.048 30.877 1.00 14.23 H new ATOM 0 HG21 ILE A 24 -6.944 14.687 27.363 1.00 44.52 H new ATOM 0 HG22 ILE A 24 -8.544 15.293 27.853 1.00 44.52 H new ATOM 0 HG23 ILE A 24 -7.085 16.250 28.201 1.00 44.52 H new ATOM 0 HD11 ILE A 24 -4.065 13.399 29.281 1.00 74.43 H new ATOM 0 HD12 ILE A 24 -5.548 12.455 29.009 1.00 74.43 H new ATOM 0 HD13 ILE A 24 -5.142 13.806 27.924 1.00 74.43 H new ATOM 350 N ASN A 25 -9.187 13.518 31.803 1.00 4.12 N ATOM 351 CA ASN A 25 -9.391 12.616 32.931 1.00 62.13 C ATOM 352 C ASN A 25 -9.840 11.239 32.451 1.00 14.12 C ATOM 353 O ASN A 25 -10.428 11.104 31.377 1.00 23.02 O ATOM 354 CB ASN A 25 -10.428 13.197 33.894 1.00 21.51 C ATOM 355 CG ASN A 25 -9.873 13.393 35.292 1.00 63.14 C ATOM 356 OD1 ASN A 25 -9.713 14.522 35.755 1.00 0.21 O ATOM 357 ND2 ASN A 25 -9.575 12.291 35.970 1.00 34.22 N ATOM 0 H ASN A 25 -9.846 13.389 31.035 1.00 4.12 H new ATOM 0 HA ASN A 25 -8.441 12.507 33.454 1.00 62.13 H new ATOM 0 HB2 ASN A 25 -10.782 14.153 33.509 1.00 21.51 H new ATOM 0 HB3 ASN A 25 -11.291 12.533 33.938 1.00 21.51 H new ATOM 0 HD21 ASN A 25 -9.197 12.360 36.915 1.00 34.22 H new ATOM 0 HD22 ASN A 25 -9.724 11.375 35.546 1.00 34.22 H new ATOM 364 N THR A 26 -9.561 10.218 33.255 1.00 30.14 N ATOM 365 CA THR A 26 -9.936 8.851 32.914 1.00 44.50 C ATOM 366 C THR A 26 -9.061 8.306 31.791 1.00 21.21 C ATOM 367 O THR A 26 -8.235 7.418 32.008 1.00 75.12 O ATOM 368 CB THR A 26 -11.413 8.764 32.487 1.00 31.12 C ATOM 369 OG1 THR A 26 -12.212 9.623 33.308 1.00 2.40 O ATOM 370 CG2 THR A 26 -11.923 7.335 32.593 1.00 33.25 C ATOM 0 H THR A 26 -9.076 10.312 34.148 1.00 30.14 H new ATOM 0 HA THR A 26 -9.789 8.249 33.811 1.00 44.50 H new ATOM 0 HB THR A 26 -11.487 9.084 31.448 1.00 31.12 H new ATOM 0 HG1 THR A 26 -13.149 9.563 33.029 1.00 2.40 H new ATOM 0 HG21 THR A 26 -12.968 7.298 32.286 1.00 33.25 H new ATOM 0 HG22 THR A 26 -11.332 6.689 31.945 1.00 33.25 H new ATOM 0 HG23 THR A 26 -11.835 6.993 33.624 1.00 33.25 H new ATOM 378 N THR A 27 -9.246 8.843 30.589 1.00 63.21 N ATOM 379 CA THR A 27 -8.474 8.409 29.431 1.00 4.33 C ATOM 380 C THR A 27 -8.859 9.199 28.186 1.00 12.41 C ATOM 381 O THR A 27 -9.818 8.857 27.493 1.00 4.13 O ATOM 382 CB THR A 27 -8.672 6.907 29.154 1.00 11.12 C ATOM 383 OG1 THR A 27 -9.809 6.422 29.877 1.00 60.41 O ATOM 384 CG2 THR A 27 -7.436 6.115 29.552 1.00 3.44 C ATOM 0 H THR A 27 -9.924 9.579 30.392 1.00 63.21 H new ATOM 0 HA THR A 27 -7.425 8.592 29.664 1.00 4.33 H new ATOM 0 HB THR A 27 -8.838 6.776 28.085 1.00 11.12 H new ATOM 0 HG1 THR A 27 -9.929 5.467 29.695 1.00 60.41 H new ATOM 0 HG21 THR A 27 -7.600 5.057 29.347 1.00 3.44 H new ATOM 0 HG22 THR A 27 -6.578 6.467 28.979 1.00 3.44 H new ATOM 0 HG23 THR A 27 -7.243 6.253 30.616 1.00 3.44 H new ATOM 392 N VAL A 28 -8.106 10.259 27.906 1.00 32.51 N ATOM 393 CA VAL A 28 -8.368 11.097 26.742 1.00 33.23 C ATOM 394 C VAL A 28 -7.070 11.619 26.137 1.00 20.33 C ATOM 395 O VAL A 28 -6.060 11.751 26.829 1.00 52.33 O ATOM 396 CB VAL A 28 -9.271 12.292 27.103 1.00 25.21 C ATOM 397 CG1 VAL A 28 -9.741 13.005 25.845 1.00 42.23 C ATOM 398 CG2 VAL A 28 -10.455 11.831 27.939 1.00 11.20 C ATOM 0 H VAL A 28 -7.310 10.557 28.470 1.00 32.51 H new ATOM 0 HA VAL A 28 -8.880 10.472 26.011 1.00 33.23 H new ATOM 0 HB VAL A 28 -8.690 12.998 27.696 1.00 25.21 H new ATOM 0 HG11 VAL A 28 -10.378 13.846 26.120 1.00 42.23 H new ATOM 0 HG12 VAL A 28 -8.877 13.370 25.289 1.00 42.23 H new ATOM 0 HG13 VAL A 28 -10.306 12.311 25.223 1.00 42.23 H new ATOM 0 HG21 VAL A 28 -11.082 12.688 28.185 1.00 11.20 H new ATOM 0 HG22 VAL A 28 -11.039 11.104 27.374 1.00 11.20 H new ATOM 0 HG23 VAL A 28 -10.094 11.370 28.858 1.00 11.20 H new ATOM 408 N SER A 29 -7.104 11.914 24.842 1.00 41.02 N ATOM 409 CA SER A 29 -5.928 12.419 24.142 1.00 75.12 C ATOM 410 C SER A 29 -6.107 13.888 23.770 1.00 61.30 C ATOM 411 O SER A 29 -7.194 14.315 23.381 1.00 33.34 O ATOM 412 CB SER A 29 -5.664 11.591 22.883 1.00 63.11 C ATOM 413 OG SER A 29 -5.899 10.214 23.120 1.00 63.44 O ATOM 0 H SER A 29 -7.933 11.812 24.256 1.00 41.02 H new ATOM 0 HA SER A 29 -5.072 12.333 24.811 1.00 75.12 H new ATOM 0 HB2 SER A 29 -6.306 11.939 22.074 1.00 63.11 H new ATOM 0 HB3 SER A 29 -4.634 11.737 22.557 1.00 63.11 H new ATOM 0 HG SER A 29 -6.196 9.785 22.290 1.00 63.44 H new ATOM 419 N LYS A 30 -5.031 14.657 23.892 1.00 4.32 N ATOM 420 CA LYS A 30 -5.065 16.079 23.569 1.00 61.55 C ATOM 421 C LYS A 30 -4.530 16.329 22.162 1.00 14.31 C ATOM 422 O LYS A 30 -3.364 16.060 21.875 1.00 55.10 O ATOM 423 CB LYS A 30 -4.245 16.874 24.587 1.00 41.44 C ATOM 424 CG LYS A 30 -4.906 18.172 25.019 1.00 61.20 C ATOM 425 CD LYS A 30 -5.183 19.079 23.832 1.00 5.31 C ATOM 426 CE LYS A 30 -6.661 19.096 23.476 1.00 12.11 C ATOM 427 NZ LYS A 30 -6.979 20.153 22.477 1.00 51.51 N ATOM 0 H LYS A 30 -4.123 14.319 24.213 1.00 4.32 H new ATOM 0 HA LYS A 30 -6.102 16.411 23.609 1.00 61.55 H new ATOM 0 HB2 LYS A 30 -4.073 16.253 25.466 1.00 41.44 H new ATOM 0 HB3 LYS A 30 -3.268 17.098 24.159 1.00 41.44 H new ATOM 0 HG2 LYS A 30 -5.840 17.951 25.535 1.00 61.20 H new ATOM 0 HG3 LYS A 30 -4.263 18.689 25.731 1.00 61.20 H new ATOM 0 HD2 LYS A 30 -4.851 20.092 24.062 1.00 5.31 H new ATOM 0 HD3 LYS A 30 -4.605 18.741 22.972 1.00 5.31 H new ATOM 0 HE2 LYS A 30 -6.950 18.123 23.079 1.00 12.11 H new ATOM 0 HE3 LYS A 30 -7.250 19.260 24.378 1.00 12.11 H new ATOM 0 HZ1 LYS A 30 -7.973 20.067 22.185 1.00 51.51 H new ATOM 0 HZ2 LYS A 30 -6.823 21.090 22.901 1.00 51.51 H new ATOM 0 HZ3 LYS A 30 -6.363 20.042 21.646 1.00 51.51 H new ATOM 441 N GLN A 31 -5.390 16.847 21.291 1.00 52.32 N ATOM 442 CA GLN A 31 -5.003 17.135 19.915 1.00 62.22 C ATOM 443 C GLN A 31 -4.504 18.570 19.778 1.00 31.52 C ATOM 444 O GLN A 31 -5.063 19.491 20.373 1.00 51.31 O ATOM 445 CB GLN A 31 -6.183 16.901 18.971 1.00 74.52 C ATOM 446 CG GLN A 31 -6.305 15.462 18.494 1.00 43.45 C ATOM 447 CD GLN A 31 -5.632 15.233 17.155 1.00 42.14 C ATOM 448 OE1 GLN A 31 -4.446 15.806 16.982 1.00 75.04 O flip ATOM 449 NE2 GLN A 31 -6.171 14.549 16.285 1.00 72.42 N flip ATOM 0 H GLN A 31 -6.359 17.076 21.514 1.00 52.32 H new ATOM 0 HA GLN A 31 -4.191 16.460 19.644 1.00 62.22 H new ATOM 0 HB2 GLN A 31 -7.105 17.186 19.478 1.00 74.52 H new ATOM 0 HB3 GLN A 31 -6.080 17.555 18.105 1.00 74.52 H new ATOM 0 HG2 GLN A 31 -5.863 14.798 19.237 1.00 43.45 H new ATOM 0 HG3 GLN A 31 -7.359 15.197 18.417 1.00 43.45 H new ATOM 0 HE21 GLN A 31 -7.083 14.127 16.460 1.00 72.42 H new ATOM 0 HE22 GLN A 31 -5.706 14.404 15.389 1.00 72.42 H new ATOM 458 N PHE A 32 -3.449 18.751 18.991 1.00 3.44 N ATOM 459 CA PHE A 32 -2.873 20.074 18.778 1.00 54.34 C ATOM 460 C PHE A 32 -2.590 20.311 17.297 1.00 0.31 C ATOM 461 O PHE A 32 -2.978 19.513 16.444 1.00 40.34 O ATOM 462 CB PHE A 32 -1.584 20.230 19.587 1.00 70.24 C ATOM 463 CG PHE A 32 -0.399 19.550 18.962 1.00 0.32 C ATOM 464 CD1 PHE A 32 -0.288 18.169 18.977 1.00 54.10 C ATOM 465 CD2 PHE A 32 0.604 20.292 18.360 1.00 1.50 C ATOM 466 CE1 PHE A 32 0.801 17.542 18.404 1.00 64.42 C ATOM 467 CE2 PHE A 32 1.696 19.670 17.785 1.00 42.32 C ATOM 468 CZ PHE A 32 1.794 18.293 17.806 1.00 63.11 C ATOM 0 H PHE A 32 -2.976 17.999 18.490 1.00 3.44 H new ATOM 0 HA PHE A 32 -3.596 20.816 19.116 1.00 54.34 H new ATOM 0 HB2 PHE A 32 -1.364 21.291 19.704 1.00 70.24 H new ATOM 0 HB3 PHE A 32 -1.740 19.824 20.587 1.00 70.24 H new ATOM 0 HD1 PHE A 32 -1.062 17.576 19.442 1.00 54.10 H new ATOM 0 HD2 PHE A 32 0.532 21.369 18.340 1.00 1.50 H new ATOM 0 HE1 PHE A 32 0.876 16.465 18.424 1.00 64.42 H new ATOM 0 HE2 PHE A 32 2.472 20.260 17.320 1.00 42.32 H new ATOM 0 HZ PHE A 32 2.645 17.804 17.356 1.00 63.11 H new ATOM 478 N PHE A 33 -1.911 21.414 17.000 1.00 10.41 N ATOM 479 CA PHE A 33 -1.576 21.759 15.623 1.00 34.41 C ATOM 480 C PHE A 33 -0.064 21.788 15.422 1.00 30.10 C ATOM 481 O PHE A 33 0.675 22.292 16.267 1.00 65.23 O ATOM 482 CB PHE A 33 -2.178 23.116 15.254 1.00 44.31 C ATOM 483 CG PHE A 33 -3.584 23.028 14.734 1.00 61.30 C ATOM 484 CD1 PHE A 33 -3.875 22.269 13.612 1.00 32.50 C ATOM 485 CD2 PHE A 33 -4.615 23.703 15.367 1.00 3.03 C ATOM 486 CE1 PHE A 33 -5.168 22.186 13.131 1.00 13.02 C ATOM 487 CE2 PHE A 33 -5.910 23.624 14.891 1.00 21.13 C ATOM 488 CZ PHE A 33 -6.187 22.863 13.772 1.00 11.52 C ATOM 0 H PHE A 33 -1.582 22.085 17.695 1.00 10.41 H new ATOM 0 HA PHE A 33 -1.996 20.994 14.970 1.00 34.41 H new ATOM 0 HB2 PHE A 33 -2.164 23.761 16.132 1.00 44.31 H new ATOM 0 HB3 PHE A 33 -1.550 23.590 14.500 1.00 44.31 H new ATOM 0 HD1 PHE A 33 -3.082 21.736 13.108 1.00 32.50 H new ATOM 0 HD2 PHE A 33 -4.404 24.298 16.243 1.00 3.03 H new ATOM 0 HE1 PHE A 33 -5.381 21.592 12.255 1.00 13.02 H new ATOM 0 HE2 PHE A 33 -6.704 24.156 15.393 1.00 21.13 H new ATOM 0 HZ PHE A 33 -7.198 22.798 13.399 1.00 11.52 H new ATOM 498 N ALA A 34 0.388 21.243 14.297 1.00 11.03 N ATOM 499 CA ALA A 34 1.811 21.207 13.984 1.00 51.54 C ATOM 500 C ALA A 34 2.051 21.444 12.496 1.00 24.44 C ATOM 501 O ALA A 34 1.550 20.702 11.651 1.00 43.32 O ATOM 502 CB ALA A 34 2.413 19.878 14.413 1.00 71.30 C ATOM 0 H ALA A 34 -0.211 20.821 13.588 1.00 11.03 H new ATOM 0 HA ALA A 34 2.300 22.009 14.537 1.00 51.54 H new ATOM 0 HB1 ALA A 34 3.476 19.866 14.173 1.00 71.30 H new ATOM 0 HB2 ALA A 34 2.282 19.749 15.487 1.00 71.30 H new ATOM 0 HB3 ALA A 34 1.913 19.065 13.887 1.00 71.30 H new ATOM 508 N VAL A 35 2.821 22.481 12.184 1.00 52.55 N ATOM 509 CA VAL A 35 3.128 22.815 10.798 1.00 40.12 C ATOM 510 C VAL A 35 4.629 22.983 10.593 1.00 64.53 C ATOM 511 O VAL A 35 5.321 23.559 11.431 1.00 14.23 O ATOM 512 CB VAL A 35 2.414 24.108 10.360 1.00 31.32 C ATOM 513 CG1 VAL A 35 0.907 23.901 10.327 1.00 64.55 C ATOM 514 CG2 VAL A 35 2.782 25.258 11.285 1.00 54.30 C ATOM 0 H VAL A 35 3.244 23.104 12.872 1.00 52.55 H new ATOM 0 HA VAL A 35 2.771 21.986 10.187 1.00 40.12 H new ATOM 0 HB VAL A 35 2.744 24.362 9.353 1.00 31.32 H new ATOM 0 HG11 VAL A 35 0.420 24.825 10.016 1.00 64.55 H new ATOM 0 HG12 VAL A 35 0.664 23.107 9.621 1.00 64.55 H new ATOM 0 HG13 VAL A 35 0.556 23.623 11.321 1.00 64.55 H new ATOM 0 HG21 VAL A 35 2.269 26.164 10.961 1.00 54.30 H new ATOM 0 HG22 VAL A 35 2.482 25.015 12.304 1.00 54.30 H new ATOM 0 HG23 VAL A 35 3.859 25.420 11.253 1.00 54.30 H new ATOM 524 N GLY A 36 5.128 22.474 9.470 1.00 63.00 N ATOM 525 CA GLY A 36 6.545 22.578 9.174 1.00 22.31 C ATOM 526 C GLY A 36 6.813 23.284 7.860 1.00 71.22 C ATOM 527 O GLY A 36 6.102 23.074 6.877 1.00 72.45 O ATOM 0 H GLY A 36 4.576 21.992 8.760 1.00 63.00 H new ATOM 0 HA2 GLY A 36 7.043 23.117 9.980 1.00 22.31 H new ATOM 0 HA3 GLY A 36 6.980 21.579 9.142 1.00 22.31 H new ATOM 531 N THR A 37 7.841 24.126 7.841 1.00 42.31 N ATOM 532 CA THR A 37 8.200 24.868 6.639 1.00 55.22 C ATOM 533 C THR A 37 9.556 24.424 6.102 1.00 15.23 C ATOM 534 O THR A 37 10.573 24.542 6.786 1.00 60.34 O ATOM 535 CB THR A 37 8.237 26.385 6.905 1.00 21.10 C ATOM 536 OG1 THR A 37 7.014 26.805 7.521 1.00 25.41 O ATOM 537 CG2 THR A 37 8.450 27.156 5.611 1.00 12.32 C ATOM 0 H THR A 37 8.440 24.311 8.645 1.00 42.31 H new ATOM 0 HA THR A 37 7.431 24.656 5.896 1.00 55.22 H new ATOM 0 HB THR A 37 9.071 26.594 7.575 1.00 21.10 H new ATOM 0 HG1 THR A 37 7.047 27.770 7.688 1.00 25.41 H new ATOM 0 HG21 THR A 37 8.473 28.225 5.824 1.00 12.32 H new ATOM 0 HG22 THR A 37 9.396 26.856 5.160 1.00 12.32 H new ATOM 0 HG23 THR A 37 7.634 26.941 4.921 1.00 12.32 H new ATOM 545 N TYR A 38 9.563 23.915 4.876 1.00 60.33 N ATOM 546 CA TYR A 38 10.795 23.451 4.248 1.00 11.30 C ATOM 547 C TYR A 38 11.624 24.628 3.742 1.00 63.41 C ATOM 548 O TYR A 38 11.081 25.651 3.325 1.00 64.41 O ATOM 549 CB TYR A 38 10.477 22.502 3.092 1.00 70.04 C ATOM 550 CG TYR A 38 10.101 21.107 3.539 1.00 41.41 C ATOM 551 CD1 TYR A 38 8.863 20.851 4.114 1.00 12.04 C ATOM 552 CD2 TYR A 38 10.984 20.046 3.385 1.00 63.21 C ATOM 553 CE1 TYR A 38 8.516 19.579 4.525 1.00 32.42 C ATOM 554 CE2 TYR A 38 10.645 18.770 3.791 1.00 21.34 C ATOM 555 CZ TYR A 38 9.410 18.541 4.361 1.00 0.34 C ATOM 556 OH TYR A 38 9.067 17.272 4.768 1.00 45.11 O ATOM 0 H TYR A 38 8.730 23.813 4.297 1.00 60.33 H new ATOM 0 HA TYR A 38 11.377 22.916 4.998 1.00 11.30 H new ATOM 0 HB2 TYR A 38 9.659 22.919 2.505 1.00 70.04 H new ATOM 0 HB3 TYR A 38 11.343 22.442 2.433 1.00 70.04 H new ATOM 0 HD1 TYR A 38 8.160 21.660 4.242 1.00 12.04 H new ATOM 0 HD2 TYR A 38 11.952 20.222 2.940 1.00 63.21 H new ATOM 0 HE1 TYR A 38 7.550 19.398 4.972 1.00 32.42 H new ATOM 0 HE2 TYR A 38 11.343 17.956 3.663 1.00 21.34 H new ATOM 0 HH TYR A 38 9.807 16.657 4.581 1.00 45.11 H new ATOM 566 N SER A 39 12.944 24.473 3.781 1.00 11.14 N ATOM 567 CA SER A 39 13.850 25.523 3.330 1.00 22.41 C ATOM 568 C SER A 39 13.618 25.844 1.857 1.00 42.21 C ATOM 569 O SER A 39 13.985 26.918 1.379 1.00 11.03 O ATOM 570 CB SER A 39 15.304 25.099 3.549 1.00 71.04 C ATOM 571 OG SER A 39 16.171 25.772 2.653 1.00 44.31 O ATOM 0 H SER A 39 13.409 23.631 4.120 1.00 11.14 H new ATOM 0 HA SER A 39 13.648 26.420 3.915 1.00 22.41 H new ATOM 0 HB2 SER A 39 15.598 25.315 4.576 1.00 71.04 H new ATOM 0 HB3 SER A 39 15.397 24.022 3.410 1.00 71.04 H new ATOM 0 HG SER A 39 17.094 25.485 2.814 1.00 44.31 H new ATOM 577 N ASP A 40 13.007 24.906 1.142 1.00 20.23 N ATOM 578 CA ASP A 40 12.724 25.088 -0.277 1.00 3.13 C ATOM 579 C ASP A 40 11.633 26.134 -0.483 1.00 71.34 C ATOM 580 O ASP A 40 11.386 26.575 -1.605 1.00 5.31 O ATOM 581 CB ASP A 40 12.303 23.761 -0.909 1.00 72.12 C ATOM 582 CG ASP A 40 12.746 23.641 -2.354 1.00 2.40 C ATOM 583 OD1 ASP A 40 13.938 23.891 -2.632 1.00 10.41 O ATOM 584 OD2 ASP A 40 11.902 23.297 -3.207 1.00 13.02 O ATOM 0 H ASP A 40 12.698 24.011 1.522 1.00 20.23 H new ATOM 0 HA ASP A 40 13.635 25.439 -0.762 1.00 3.13 H new ATOM 0 HB2 ASP A 40 12.725 22.938 -0.333 1.00 72.12 H new ATOM 0 HB3 ASP A 40 11.219 23.664 -0.855 1.00 72.12 H new ATOM 589 N GLY A 41 10.981 26.525 0.607 1.00 34.23 N ATOM 590 CA GLY A 41 9.922 27.514 0.524 1.00 43.30 C ATOM 591 C GLY A 41 8.545 26.886 0.454 1.00 71.54 C ATOM 592 O GLY A 41 7.704 27.300 -0.346 1.00 25.52 O ATOM 0 H GLY A 41 11.167 26.175 1.547 1.00 34.23 H new ATOM 0 HA2 GLY A 41 9.974 28.171 1.392 1.00 43.30 H new ATOM 0 HA3 GLY A 41 10.079 28.136 -0.357 1.00 43.30 H new ATOM 596 N THR A 42 8.311 25.880 1.292 1.00 43.24 N ATOM 597 CA THR A 42 7.028 25.191 1.319 1.00 34.24 C ATOM 598 C THR A 42 6.497 25.074 2.744 1.00 70.14 C ATOM 599 O THR A 42 7.209 25.355 3.708 1.00 62.12 O ATOM 600 CB THR A 42 7.133 23.782 0.706 1.00 60.13 C ATOM 601 OG1 THR A 42 8.265 23.712 -0.169 1.00 54.00 O ATOM 602 CG2 THR A 42 5.869 23.431 -0.064 1.00 35.24 C ATOM 0 H THR A 42 8.994 25.525 1.961 1.00 43.24 H new ATOM 0 HA THR A 42 6.337 25.787 0.723 1.00 34.24 H new ATOM 0 HB THR A 42 7.256 23.065 1.518 1.00 60.13 H new ATOM 0 HG1 THR A 42 8.326 22.813 -0.554 1.00 54.00 H new ATOM 0 HG21 THR A 42 5.967 22.432 -0.488 1.00 35.24 H new ATOM 0 HG22 THR A 42 5.013 23.457 0.610 1.00 35.24 H new ATOM 0 HG23 THR A 42 5.720 24.153 -0.867 1.00 35.24 H new ATOM 610 N LYS A 43 5.242 24.657 2.870 1.00 32.30 N ATOM 611 CA LYS A 43 4.615 24.500 4.177 1.00 0.22 C ATOM 612 C LYS A 43 3.619 23.345 4.168 1.00 24.43 C ATOM 613 O LYS A 43 2.736 23.280 3.314 1.00 44.54 O ATOM 614 CB LYS A 43 3.907 25.794 4.584 1.00 11.34 C ATOM 615 CG LYS A 43 2.799 26.207 3.631 1.00 41.41 C ATOM 616 CD LYS A 43 1.433 25.791 4.150 1.00 51.32 C ATOM 617 CE LYS A 43 0.718 26.950 4.829 1.00 22.50 C ATOM 618 NZ LYS A 43 -0.566 26.522 5.449 1.00 31.45 N ATOM 0 H LYS A 43 4.638 24.421 2.082 1.00 32.30 H new ATOM 0 HA LYS A 43 5.397 24.276 4.903 1.00 0.22 H new ATOM 0 HB2 LYS A 43 3.488 25.670 5.583 1.00 11.34 H new ATOM 0 HB3 LYS A 43 4.642 26.597 4.643 1.00 11.34 H new ATOM 0 HG2 LYS A 43 2.822 27.288 3.491 1.00 41.41 H new ATOM 0 HG3 LYS A 43 2.971 25.755 2.654 1.00 41.41 H new ATOM 0 HD2 LYS A 43 0.826 25.421 3.324 1.00 51.32 H new ATOM 0 HD3 LYS A 43 1.546 24.968 4.856 1.00 51.32 H new ATOM 0 HE2 LYS A 43 1.366 27.378 5.594 1.00 22.50 H new ATOM 0 HE3 LYS A 43 0.525 27.736 4.099 1.00 22.50 H new ATOM 0 HZ1 LYS A 43 -1.023 27.340 5.901 1.00 31.45 H new ATOM 0 HZ2 LYS A 43 -1.194 26.136 4.715 1.00 31.45 H new ATOM 0 HZ3 LYS A 43 -0.379 25.790 6.164 1.00 31.45 H new ATOM 632 N ALA A 44 3.767 22.435 5.125 1.00 25.44 N ATOM 633 CA ALA A 44 2.879 21.284 5.229 1.00 30.33 C ATOM 634 C ALA A 44 2.729 20.835 6.679 1.00 63.20 C ATOM 635 O ALA A 44 3.697 20.827 7.439 1.00 25.14 O ATOM 636 CB ALA A 44 3.396 20.139 4.371 1.00 71.21 C ATOM 0 H ALA A 44 4.494 22.473 5.840 1.00 25.44 H new ATOM 0 HA ALA A 44 1.896 21.581 4.865 1.00 30.33 H new ATOM 0 HB1 ALA A 44 2.723 19.286 4.458 1.00 71.21 H new ATOM 0 HB2 ALA A 44 3.445 20.458 3.330 1.00 71.21 H new ATOM 0 HB3 ALA A 44 4.392 19.852 4.709 1.00 71.21 H new ATOM 642 N ASP A 45 1.511 20.463 7.055 1.00 31.32 N ATOM 643 CA ASP A 45 1.235 20.012 8.414 1.00 34.04 C ATOM 644 C ASP A 45 1.737 18.587 8.627 1.00 4.52 C ATOM 645 O ASP A 45 1.144 17.628 8.132 1.00 24.02 O ATOM 646 CB ASP A 45 -0.265 20.085 8.704 1.00 54.32 C ATOM 647 CG ASP A 45 -0.889 21.374 8.205 1.00 1.24 C ATOM 648 OD1 ASP A 45 -0.160 22.382 8.097 1.00 40.13 O ATOM 649 OD2 ASP A 45 -2.106 21.375 7.925 1.00 51.20 O ATOM 0 H ASP A 45 0.699 20.465 6.438 1.00 31.32 H new ATOM 0 HA ASP A 45 1.763 20.671 9.103 1.00 34.04 H new ATOM 0 HB2 ASP A 45 -0.765 19.237 8.235 1.00 54.32 H new ATOM 0 HB3 ASP A 45 -0.429 19.997 9.778 1.00 54.32 H new ATOM 654 N LEU A 46 2.834 18.457 9.365 1.00 21.13 N ATOM 655 CA LEU A 46 3.418 17.149 9.643 1.00 10.22 C ATOM 656 C LEU A 46 3.579 16.933 11.145 1.00 70.35 C ATOM 657 O LEU A 46 4.222 17.726 11.832 1.00 12.55 O ATOM 658 CB LEU A 46 4.775 17.017 8.949 1.00 74.40 C ATOM 659 CG LEU A 46 4.765 16.331 7.582 1.00 11.11 C ATOM 660 CD1 LEU A 46 4.454 14.850 7.730 1.00 75.10 C ATOM 661 CD2 LEU A 46 3.758 17.000 6.657 1.00 23.13 C ATOM 0 H LEU A 46 3.337 19.241 9.781 1.00 21.13 H new ATOM 0 HA LEU A 46 2.743 16.387 9.255 1.00 10.22 H new ATOM 0 HB2 LEU A 46 5.198 18.014 8.830 1.00 74.40 H new ATOM 0 HB3 LEU A 46 5.445 16.463 9.607 1.00 74.40 H new ATOM 0 HG LEU A 46 5.756 16.430 7.140 1.00 11.11 H new ATOM 0 HD11 LEU A 46 4.451 14.379 6.747 1.00 75.10 H new ATOM 0 HD12 LEU A 46 5.213 14.380 8.356 1.00 75.10 H new ATOM 0 HD13 LEU A 46 3.475 14.728 8.193 1.00 75.10 H new ATOM 0 HD21 LEU A 46 3.764 16.499 5.689 1.00 23.13 H new ATOM 0 HD22 LEU A 46 2.762 16.932 7.094 1.00 23.13 H new ATOM 0 HD23 LEU A 46 4.026 18.048 6.525 1.00 23.13 H new ATOM 673 N THR A 47 2.992 15.851 11.648 1.00 63.14 N ATOM 674 CA THR A 47 3.071 15.529 13.067 1.00 61.33 C ATOM 675 C THR A 47 4.053 14.391 13.318 1.00 25.54 C ATOM 676 O THR A 47 4.626 14.281 14.402 1.00 24.43 O ATOM 677 CB THR A 47 1.693 15.136 13.631 1.00 13.32 C ATOM 678 OG1 THR A 47 1.040 14.225 12.740 1.00 21.34 O ATOM 679 CG2 THR A 47 0.821 16.366 13.834 1.00 0.34 C ATOM 0 H THR A 47 2.457 15.183 11.093 1.00 63.14 H new ATOM 0 HA THR A 47 3.421 16.427 13.576 1.00 61.33 H new ATOM 0 HB THR A 47 1.845 14.653 14.596 1.00 13.32 H new ATOM 0 HG1 THR A 47 0.456 13.628 13.253 1.00 21.34 H new ATOM 0 HG21 THR A 47 -0.147 16.064 14.233 1.00 0.34 H new ATOM 0 HG22 THR A 47 1.307 17.045 14.535 1.00 0.34 H new ATOM 0 HG23 THR A 47 0.678 16.872 12.879 1.00 0.34 H new ATOM 687 N SER A 48 4.244 13.546 12.310 1.00 22.20 N ATOM 688 CA SER A 48 5.156 12.413 12.424 1.00 52.34 C ATOM 689 C SER A 48 6.604 12.863 12.258 1.00 42.15 C ATOM 690 O SER A 48 7.525 12.229 12.772 1.00 4.33 O ATOM 691 CB SER A 48 4.816 11.351 11.376 1.00 4.20 C ATOM 692 OG SER A 48 5.203 11.772 10.079 1.00 13.22 O ATOM 0 H SER A 48 3.780 13.624 11.405 1.00 22.20 H new ATOM 0 HA SER A 48 5.040 11.982 13.418 1.00 52.34 H new ATOM 0 HB2 SER A 48 5.320 10.417 11.624 1.00 4.20 H new ATOM 0 HB3 SER A 48 3.745 11.150 11.392 1.00 4.20 H new ATOM 0 HG SER A 48 4.977 11.075 9.428 1.00 13.22 H new ATOM 698 N SER A 49 6.797 13.962 11.535 1.00 71.33 N ATOM 699 CA SER A 49 8.133 14.496 11.297 1.00 72.55 C ATOM 700 C SER A 49 8.728 15.064 12.581 1.00 33.13 C ATOM 701 O SER A 49 9.946 15.181 12.717 1.00 72.15 O ATOM 702 CB SER A 49 8.087 15.580 10.219 1.00 51.42 C ATOM 703 OG SER A 49 9.307 16.300 10.167 1.00 34.02 O ATOM 0 H SER A 49 6.045 14.500 11.104 1.00 71.33 H new ATOM 0 HA SER A 49 8.768 13.679 10.954 1.00 72.55 H new ATOM 0 HB2 SER A 49 7.888 15.124 9.249 1.00 51.42 H new ATOM 0 HB3 SER A 49 7.265 16.266 10.423 1.00 51.42 H new ATOM 0 HG SER A 49 9.253 16.986 9.469 1.00 34.02 H new ATOM 709 N VAL A 50 7.858 15.416 13.523 1.00 5.03 N ATOM 710 CA VAL A 50 8.296 15.971 14.798 1.00 1.34 C ATOM 711 C VAL A 50 8.321 14.902 15.884 1.00 32.53 C ATOM 712 O VAL A 50 7.476 14.006 15.909 1.00 30.20 O ATOM 713 CB VAL A 50 7.382 17.126 15.251 1.00 24.31 C ATOM 714 CG1 VAL A 50 7.425 18.266 14.245 1.00 12.25 C ATOM 715 CG2 VAL A 50 5.958 16.631 15.449 1.00 74.24 C ATOM 0 H VAL A 50 6.846 15.327 13.427 1.00 5.03 H new ATOM 0 HA VAL A 50 9.305 16.354 14.646 1.00 1.34 H new ATOM 0 HB VAL A 50 7.747 17.503 16.206 1.00 24.31 H new ATOM 0 HG11 VAL A 50 6.774 19.073 14.581 1.00 12.25 H new ATOM 0 HG12 VAL A 50 8.446 18.636 14.158 1.00 12.25 H new ATOM 0 HG13 VAL A 50 7.086 17.907 13.273 1.00 12.25 H new ATOM 0 HG21 VAL A 50 5.326 17.459 15.769 1.00 74.24 H new ATOM 0 HG22 VAL A 50 5.579 16.227 14.510 1.00 74.24 H new ATOM 0 HG23 VAL A 50 5.946 15.851 16.210 1.00 74.24 H new ATOM 725 N THR A 51 9.295 15.001 16.783 1.00 24.51 N ATOM 726 CA THR A 51 9.431 14.041 17.872 1.00 43.41 C ATOM 727 C THR A 51 8.761 14.553 19.142 1.00 23.10 C ATOM 728 O THR A 51 8.892 15.725 19.495 1.00 73.02 O ATOM 729 CB THR A 51 10.911 13.738 18.172 1.00 4.42 C ATOM 730 OG1 THR A 51 11.715 14.035 17.025 1.00 72.15 O ATOM 731 CG2 THR A 51 11.097 12.280 18.564 1.00 14.32 C ATOM 0 H THR A 51 10.002 15.737 16.779 1.00 24.51 H new ATOM 0 HA THR A 51 8.939 13.124 17.549 1.00 43.41 H new ATOM 0 HB THR A 51 11.224 14.365 19.007 1.00 4.42 H new ATOM 0 HG1 THR A 51 11.830 15.005 16.948 1.00 72.15 H new ATOM 0 HG21 THR A 51 12.150 12.090 18.771 1.00 14.32 H new ATOM 0 HG22 THR A 51 10.508 12.065 19.455 1.00 14.32 H new ATOM 0 HG23 THR A 51 10.767 11.639 17.747 1.00 14.32 H new ATOM 739 N TRP A 52 8.045 13.667 19.825 1.00 41.31 N ATOM 740 CA TRP A 52 7.355 14.030 21.058 1.00 52.25 C ATOM 741 C TRP A 52 7.863 13.200 22.231 1.00 62.22 C ATOM 742 O TRP A 52 7.792 11.971 22.211 1.00 54.12 O ATOM 743 CB TRP A 52 5.846 13.838 20.897 1.00 51.23 C ATOM 744 CG TRP A 52 5.122 15.099 20.533 1.00 1.35 C ATOM 745 CD1 TRP A 52 5.357 15.896 19.449 1.00 30.13 C ATOM 746 CD2 TRP A 52 4.047 15.709 21.257 1.00 43.14 C ATOM 747 NE1 TRP A 52 4.493 16.964 19.455 1.00 51.31 N ATOM 748 CE2 TRP A 52 3.679 16.872 20.553 1.00 52.33 C ATOM 749 CE3 TRP A 52 3.359 15.385 22.429 1.00 60.23 C ATOM 750 CZ2 TRP A 52 2.654 17.710 20.985 1.00 41.23 C ATOM 751 CZ3 TRP A 52 2.343 16.218 22.856 1.00 34.43 C ATOM 752 CH2 TRP A 52 1.997 17.369 22.136 1.00 63.44 C ATOM 0 H TRP A 52 7.927 12.693 19.546 1.00 41.31 H new ATOM 0 HA TRP A 52 7.561 15.080 21.265 1.00 52.25 H new ATOM 0 HB2 TRP A 52 5.663 13.087 20.128 1.00 51.23 H new ATOM 0 HB3 TRP A 52 5.435 13.448 21.828 1.00 51.23 H new ATOM 0 HD1 TRP A 52 6.111 15.713 18.698 1.00 30.13 H new ATOM 0 HE1 TRP A 52 4.462 17.705 18.755 1.00 51.31 H new ATOM 0 HE3 TRP A 52 3.617 14.499 22.991 1.00 60.23 H new ATOM 0 HZ2 TRP A 52 2.387 18.598 20.431 1.00 41.23 H new ATOM 0 HZ3 TRP A 52 1.806 15.978 23.761 1.00 34.43 H new ATOM 0 HH2 TRP A 52 1.197 17.999 22.496 1.00 63.44 H new ATOM 763 N SER A 53 8.376 13.878 23.252 1.00 4.32 N ATOM 764 CA SER A 53 8.900 13.202 24.433 1.00 21.01 C ATOM 765 C SER A 53 8.379 13.856 25.709 1.00 5.04 C ATOM 766 O SER A 53 8.649 15.027 25.974 1.00 3.43 O ATOM 767 CB SER A 53 10.430 13.224 24.423 1.00 71.31 C ATOM 768 OG SER A 53 10.957 11.923 24.227 1.00 40.04 O ATOM 0 H SER A 53 8.440 14.895 23.285 1.00 4.32 H new ATOM 0 HA SER A 53 8.559 12.167 24.410 1.00 21.01 H new ATOM 0 HB2 SER A 53 10.782 13.886 23.632 1.00 71.31 H new ATOM 0 HB3 SER A 53 10.797 13.631 25.365 1.00 71.31 H new ATOM 0 HG SER A 53 11.936 11.964 24.223 1.00 40.04 H new ATOM 774 N SER A 54 7.631 13.090 26.497 1.00 62.23 N ATOM 775 CA SER A 54 7.069 13.595 27.744 1.00 74.43 C ATOM 776 C SER A 54 7.842 13.059 28.945 1.00 45.43 C ATOM 777 O SER A 54 8.469 12.002 28.872 1.00 1.34 O ATOM 778 CB SER A 54 5.594 13.204 27.858 1.00 71.34 C ATOM 779 OG SER A 54 4.987 13.823 28.978 1.00 2.24 O ATOM 0 H SER A 54 7.400 12.117 26.294 1.00 62.23 H new ATOM 0 HA SER A 54 7.151 14.682 27.737 1.00 74.43 H new ATOM 0 HB2 SER A 54 5.067 13.493 26.949 1.00 71.34 H new ATOM 0 HB3 SER A 54 5.508 12.121 27.946 1.00 71.34 H new ATOM 0 HG SER A 54 4.045 13.558 29.027 1.00 2.24 H new ATOM 785 N SER A 55 7.794 13.798 30.049 1.00 72.31 N ATOM 786 CA SER A 55 8.493 13.401 31.265 1.00 31.44 C ATOM 787 C SER A 55 8.185 11.949 31.620 1.00 62.15 C ATOM 788 O SER A 55 9.048 11.078 31.519 1.00 3.04 O ATOM 789 CB SER A 55 8.099 14.315 32.427 1.00 50.21 C ATOM 790 OG SER A 55 8.769 15.561 32.345 1.00 52.34 O ATOM 0 H SER A 55 7.278 14.675 30.126 1.00 72.31 H new ATOM 0 HA SER A 55 9.564 13.494 31.085 1.00 31.44 H new ATOM 0 HB2 SER A 55 7.021 14.477 32.417 1.00 50.21 H new ATOM 0 HB3 SER A 55 8.340 13.830 33.373 1.00 50.21 H new ATOM 0 HG SER A 55 8.499 16.128 33.098 1.00 52.34 H new ATOM 796 N ASN A 56 6.948 11.697 32.034 1.00 31.02 N ATOM 797 CA ASN A 56 6.525 10.351 32.404 1.00 11.22 C ATOM 798 C ASN A 56 6.461 9.445 31.179 1.00 71.23 C ATOM 799 O ASN A 56 5.813 9.773 30.185 1.00 12.45 O ATOM 800 CB ASN A 56 5.159 10.395 33.092 1.00 31.52 C ATOM 801 CG ASN A 56 5.138 11.342 34.276 1.00 31.34 C ATOM 802 OD1 ASN A 56 4.044 12.080 34.424 1.00 12.32 O flip ATOM 803 ND2 ASN A 56 6.094 11.408 35.049 1.00 71.11 N flip ATOM 0 H ASN A 56 6.221 12.407 32.122 1.00 31.02 H new ATOM 0 HA ASN A 56 7.261 9.943 33.097 1.00 11.22 H new ATOM 0 HB2 ASN A 56 4.402 10.703 32.371 1.00 31.52 H new ATOM 0 HB3 ASN A 56 4.892 9.393 33.427 1.00 31.52 H new ATOM 0 HD21 ASN A 56 6.915 10.822 34.896 1.00 71.11 H new ATOM 0 HD22 ASN A 56 6.065 12.049 35.842 1.00 71.11 H new ATOM 810 N GLN A 57 7.137 8.303 31.258 1.00 43.44 N ATOM 811 CA GLN A 57 7.157 7.350 30.155 1.00 61.13 C ATOM 812 C GLN A 57 5.772 6.755 29.924 1.00 13.14 C ATOM 813 O GLN A 57 5.427 6.376 28.805 1.00 35.34 O ATOM 814 CB GLN A 57 8.164 6.233 30.436 1.00 41.40 C ATOM 815 CG GLN A 57 9.320 6.194 29.449 1.00 33.41 C ATOM 816 CD GLN A 57 9.318 4.939 28.598 1.00 33.14 C ATOM 817 OE1 GLN A 57 9.922 3.929 28.960 1.00 30.30 O ATOM 818 NE2 GLN A 57 8.636 4.996 27.460 1.00 2.12 N ATOM 0 H GLN A 57 7.678 8.016 32.074 1.00 43.44 H new ATOM 0 HA GLN A 57 7.458 7.883 29.253 1.00 61.13 H new ATOM 0 HB2 GLN A 57 8.561 6.358 31.443 1.00 41.40 H new ATOM 0 HB3 GLN A 57 7.646 5.274 30.414 1.00 41.40 H new ATOM 0 HG2 GLN A 57 9.269 7.068 28.800 1.00 33.41 H new ATOM 0 HG3 GLN A 57 10.261 6.257 29.995 1.00 33.41 H new ATOM 0 HE21 GLN A 57 8.150 5.854 27.199 1.00 2.12 H new ATOM 0 HE22 GLN A 57 8.598 4.182 26.847 1.00 2.12 H new ATOM 827 N SER A 58 4.982 6.677 30.991 1.00 61.52 N ATOM 828 CA SER A 58 3.635 6.124 30.906 1.00 64.23 C ATOM 829 C SER A 58 2.703 7.077 30.164 1.00 31.13 C ATOM 830 O SER A 58 1.920 6.658 29.312 1.00 22.21 O ATOM 831 CB SER A 58 3.087 5.842 32.306 1.00 4.30 C ATOM 832 OG SER A 58 2.902 4.453 32.511 1.00 21.53 O ATOM 0 H SER A 58 5.252 6.990 31.924 1.00 61.52 H new ATOM 0 HA SER A 58 3.687 5.188 30.350 1.00 64.23 H new ATOM 0 HB2 SER A 58 3.775 6.235 33.055 1.00 4.30 H new ATOM 0 HB3 SER A 58 2.138 6.362 32.440 1.00 4.30 H new ATOM 0 HG SER A 58 2.553 4.299 33.414 1.00 21.53 H new ATOM 838 N GLN A 59 2.793 8.361 30.496 1.00 24.32 N ATOM 839 CA GLN A 59 1.958 9.374 29.863 1.00 75.22 C ATOM 840 C GLN A 59 2.614 9.905 28.593 1.00 3.31 C ATOM 841 O GLN A 59 2.057 10.761 27.906 1.00 4.12 O ATOM 842 CB GLN A 59 1.691 10.525 30.834 1.00 50.32 C ATOM 843 CG GLN A 59 0.903 10.112 32.066 1.00 21.23 C ATOM 844 CD GLN A 59 1.137 11.035 33.246 1.00 44.03 C ATOM 845 OE1 GLN A 59 1.603 10.473 34.355 1.00 22.22 O flip ATOM 846 NE2 GLN A 59 0.902 12.241 33.161 1.00 61.42 N flip ATOM 0 H GLN A 59 3.436 8.724 31.200 1.00 24.32 H new ATOM 0 HA GLN A 59 1.010 8.910 29.592 1.00 75.22 H new ATOM 0 HB2 GLN A 59 2.643 10.952 31.149 1.00 50.32 H new ATOM 0 HB3 GLN A 59 1.146 11.311 30.311 1.00 50.32 H new ATOM 0 HG2 GLN A 59 -0.160 10.099 31.825 1.00 21.23 H new ATOM 0 HG3 GLN A 59 1.179 9.095 32.345 1.00 21.23 H new ATOM 0 HE21 GLN A 59 0.544 12.631 32.289 1.00 61.42 H new ATOM 0 HE22 GLN A 59 1.065 12.850 33.963 1.00 61.42 H new ATOM 855 N ALA A 60 3.802 9.392 28.288 1.00 53.43 N ATOM 856 CA ALA A 60 4.533 9.814 27.100 1.00 44.42 C ATOM 857 C ALA A 60 4.064 9.051 25.866 1.00 52.41 C ATOM 858 O ALA A 60 4.846 8.354 25.219 1.00 34.34 O ATOM 859 CB ALA A 60 6.029 9.621 27.305 1.00 53.43 C ATOM 0 H ALA A 60 4.278 8.684 28.847 1.00 53.43 H new ATOM 0 HA ALA A 60 4.333 10.873 26.938 1.00 44.42 H new ATOM 0 HB1 ALA A 60 6.563 9.940 26.410 1.00 53.43 H new ATOM 0 HB2 ALA A 60 6.359 10.216 28.156 1.00 53.43 H new ATOM 0 HB3 ALA A 60 6.237 8.568 27.496 1.00 53.43 H new ATOM 865 N LYS A 61 2.782 9.188 25.544 1.00 31.42 N ATOM 866 CA LYS A 61 2.207 8.512 24.387 1.00 31.21 C ATOM 867 C LYS A 61 1.668 9.522 23.379 1.00 13.04 C ATOM 868 O LYS A 61 1.037 10.511 23.753 1.00 2.04 O ATOM 869 CB LYS A 61 1.086 7.567 24.827 1.00 25.13 C ATOM 870 CG LYS A 61 1.562 6.433 25.719 1.00 64.24 C ATOM 871 CD LYS A 61 2.134 5.285 24.903 1.00 32.02 C ATOM 872 CE LYS A 61 3.235 4.558 25.660 1.00 75.51 C ATOM 873 NZ LYS A 61 2.955 3.100 25.779 1.00 25.42 N ATOM 0 H LYS A 61 2.121 9.761 26.068 1.00 31.42 H new ATOM 0 HA LYS A 61 2.996 7.932 23.908 1.00 31.21 H new ATOM 0 HB2 LYS A 61 0.326 8.141 25.357 1.00 25.13 H new ATOM 0 HB3 LYS A 61 0.608 7.146 23.942 1.00 25.13 H new ATOM 0 HG2 LYS A 61 2.321 6.804 26.408 1.00 64.24 H new ATOM 0 HG3 LYS A 61 0.731 6.072 26.325 1.00 64.24 H new ATOM 0 HD2 LYS A 61 1.338 4.583 24.653 1.00 32.02 H new ATOM 0 HD3 LYS A 61 2.529 5.668 23.962 1.00 32.02 H new ATOM 0 HE2 LYS A 61 4.186 4.705 25.148 1.00 75.51 H new ATOM 0 HE3 LYS A 61 3.339 4.991 26.655 1.00 75.51 H new ATOM 0 HZ1 LYS A 61 3.728 2.640 26.301 1.00 25.42 H new ATOM 0 HZ2 LYS A 61 2.060 2.959 26.290 1.00 25.42 H new ATOM 0 HZ3 LYS A 61 2.881 2.682 24.830 1.00 25.42 H new ATOM 887 N VAL A 62 1.919 9.266 22.099 1.00 34.14 N ATOM 888 CA VAL A 62 1.456 10.151 21.038 1.00 40.54 C ATOM 889 C VAL A 62 1.139 9.369 19.768 1.00 20.22 C ATOM 890 O VAL A 62 1.678 8.285 19.544 1.00 42.21 O ATOM 891 CB VAL A 62 2.503 11.233 20.713 1.00 65.04 C ATOM 892 CG1 VAL A 62 2.591 12.249 21.842 1.00 74.54 C ATOM 893 CG2 VAL A 62 3.861 10.598 20.450 1.00 75.22 C ATOM 0 H VAL A 62 2.441 8.453 21.772 1.00 34.14 H new ATOM 0 HA VAL A 62 0.548 10.632 21.401 1.00 40.54 H new ATOM 0 HB VAL A 62 2.190 11.756 19.809 1.00 65.04 H new ATOM 0 HG11 VAL A 62 3.336 13.005 21.594 1.00 74.54 H new ATOM 0 HG12 VAL A 62 1.621 12.726 21.978 1.00 74.54 H new ATOM 0 HG13 VAL A 62 2.880 11.744 22.764 1.00 74.54 H new ATOM 0 HG21 VAL A 62 4.589 11.377 20.222 1.00 75.22 H new ATOM 0 HG22 VAL A 62 4.183 10.048 21.334 1.00 75.22 H new ATOM 0 HG23 VAL A 62 3.785 9.914 19.605 1.00 75.22 H new ATOM 903 N SER A 63 0.261 9.925 18.940 1.00 11.41 N ATOM 904 CA SER A 63 -0.131 9.278 17.694 1.00 40.04 C ATOM 905 C SER A 63 0.537 9.951 16.498 1.00 10.15 C ATOM 906 O SER A 63 -0.004 9.958 15.394 1.00 71.33 O ATOM 907 CB SER A 63 -1.652 9.316 17.531 1.00 43.33 C ATOM 908 OG SER A 63 -2.115 8.194 16.800 1.00 63.20 O ATOM 0 H SER A 63 -0.193 10.823 19.110 1.00 11.41 H new ATOM 0 HA SER A 63 0.197 8.239 17.734 1.00 40.04 H new ATOM 0 HB2 SER A 63 -2.126 9.335 18.513 1.00 43.33 H new ATOM 0 HB3 SER A 63 -1.943 10.233 17.019 1.00 43.33 H new ATOM 0 HG SER A 63 -3.090 8.241 16.711 1.00 63.20 H new ATOM 914 N ASN A 64 1.717 10.517 16.729 1.00 23.24 N ATOM 915 CA ASN A 64 2.460 11.194 15.673 1.00 63.33 C ATOM 916 C ASN A 64 2.958 10.195 14.632 1.00 12.01 C ATOM 917 O ASN A 64 4.083 9.705 14.716 1.00 63.41 O ATOM 918 CB ASN A 64 3.643 11.963 16.264 1.00 24.55 C ATOM 919 CG ASN A 64 4.446 11.126 17.242 1.00 60.32 C ATOM 920 OD1 ASN A 64 4.313 9.903 17.284 1.00 20.51 O ATOM 921 ND2 ASN A 64 5.285 11.783 18.034 1.00 51.42 N ATOM 0 H ASN A 64 2.179 10.520 17.638 1.00 23.24 H new ATOM 0 HA ASN A 64 1.786 11.897 15.184 1.00 63.33 H new ATOM 0 HB2 ASN A 64 4.294 12.299 15.457 1.00 24.55 H new ATOM 0 HB3 ASN A 64 3.276 12.856 16.770 1.00 24.55 H new ATOM 0 HD21 ASN A 64 5.852 11.273 18.712 1.00 51.42 H new ATOM 0 HD22 ASN A 64 5.363 12.798 17.965 1.00 51.42 H new ATOM 928 N ALA A 65 2.111 9.899 13.652 1.00 51.25 N ATOM 929 CA ALA A 65 2.465 8.962 12.593 1.00 31.42 C ATOM 930 C ALA A 65 1.347 8.849 11.563 1.00 54.03 C ATOM 931 O ALA A 65 1.603 8.683 10.370 1.00 12.51 O ATOM 932 CB ALA A 65 2.781 7.595 13.183 1.00 45.22 C ATOM 0 H ALA A 65 1.174 10.295 13.569 1.00 51.25 H new ATOM 0 HA ALA A 65 3.352 9.342 12.087 1.00 31.42 H new ATOM 0 HB1 ALA A 65 3.044 6.905 12.381 1.00 45.22 H new ATOM 0 HB2 ALA A 65 3.618 7.682 13.876 1.00 45.22 H new ATOM 0 HB3 ALA A 65 1.908 7.218 13.715 1.00 45.22 H new ATOM 938 N SER A 66 0.106 8.939 12.031 1.00 53.24 N ATOM 939 CA SER A 66 -1.052 8.843 11.150 1.00 73.14 C ATOM 940 C SER A 66 -0.943 9.838 9.998 1.00 15.25 C ATOM 941 O SER A 66 -1.130 9.481 8.836 1.00 64.21 O ATOM 942 CB SER A 66 -2.340 9.094 11.936 1.00 13.21 C ATOM 943 OG SER A 66 -2.980 7.875 12.270 1.00 31.31 O ATOM 0 H SER A 66 -0.123 9.078 13.015 1.00 53.24 H new ATOM 0 HA SER A 66 -1.079 7.835 10.735 1.00 73.14 H new ATOM 0 HB2 SER A 66 -2.112 9.650 12.846 1.00 13.21 H new ATOM 0 HB3 SER A 66 -3.015 9.713 11.345 1.00 13.21 H new ATOM 0 HG SER A 66 -3.800 8.063 12.773 1.00 31.31 H new ATOM 949 N GLU A 67 -0.641 11.089 10.332 1.00 24.24 N ATOM 950 CA GLU A 67 -0.508 12.136 9.327 1.00 42.52 C ATOM 951 C GLU A 67 -0.236 13.488 9.982 1.00 64.35 C ATOM 952 O GLU A 67 0.897 13.970 9.989 1.00 3.53 O ATOM 953 CB GLU A 67 -1.774 12.217 8.472 1.00 15.42 C ATOM 954 CG GLU A 67 -1.586 11.705 7.054 1.00 21.24 C ATOM 955 CD GLU A 67 -2.791 10.938 6.546 1.00 34.01 C ATOM 956 OE1 GLU A 67 -3.878 11.544 6.436 1.00 24.13 O ATOM 957 OE2 GLU A 67 -2.648 9.731 6.258 1.00 43.21 O ATOM 0 H GLU A 67 -0.484 11.401 11.290 1.00 24.24 H new ATOM 0 HA GLU A 67 0.338 11.885 8.688 1.00 42.52 H new ATOM 0 HB2 GLU A 67 -2.565 11.643 8.954 1.00 15.42 H new ATOM 0 HB3 GLU A 67 -2.110 13.253 8.433 1.00 15.42 H new ATOM 0 HG2 GLU A 67 -1.390 12.547 6.391 1.00 21.24 H new ATOM 0 HG3 GLU A 67 -0.708 11.060 7.018 1.00 21.24 H new ATOM 964 N THR A 68 -1.283 14.095 10.530 1.00 34.34 N ATOM 965 CA THR A 68 -1.159 15.390 11.186 1.00 53.41 C ATOM 966 C THR A 68 -1.821 15.378 12.559 1.00 74.41 C ATOM 967 O THR A 68 -2.136 16.428 13.118 1.00 54.52 O ATOM 968 CB THR A 68 -1.786 16.512 10.337 1.00 53.14 C ATOM 969 OG1 THR A 68 -3.214 16.455 10.427 1.00 12.45 O ATOM 970 CG2 THR A 68 -1.361 16.391 8.881 1.00 5.11 C ATOM 0 H THR A 68 -2.228 13.710 10.533 1.00 34.34 H new ATOM 0 HA THR A 68 -0.093 15.584 11.302 1.00 53.41 H new ATOM 0 HB THR A 68 -1.435 17.469 10.724 1.00 53.14 H new ATOM 0 HG1 THR A 68 -3.605 17.173 9.886 1.00 12.45 H new ATOM 0 HG21 THR A 68 -1.816 17.194 8.301 1.00 5.11 H new ATOM 0 HG22 THR A 68 -0.276 16.463 8.812 1.00 5.11 H new ATOM 0 HG23 THR A 68 -1.686 15.429 8.486 1.00 5.11 H new ATOM 978 N LYS A 69 -2.030 14.182 13.099 1.00 61.30 N ATOM 979 CA LYS A 69 -2.653 14.031 14.409 1.00 51.15 C ATOM 980 C LYS A 69 -1.796 14.671 15.496 1.00 63.21 C ATOM 981 O LYS A 69 -1.979 15.838 15.838 1.00 14.03 O ATOM 982 CB LYS A 69 -2.874 12.550 14.724 1.00 61.12 C ATOM 983 CG LYS A 69 -4.169 11.994 14.158 1.00 14.22 C ATOM 984 CD LYS A 69 -4.188 12.059 12.640 1.00 30.41 C ATOM 985 CE LYS A 69 -5.339 11.249 12.062 1.00 24.11 C ATOM 986 NZ LYS A 69 -6.659 11.866 12.366 1.00 11.31 N ATOM 0 H LYS A 69 -1.777 13.302 12.649 1.00 61.30 H new ATOM 0 HA LYS A 69 -3.617 14.539 14.386 1.00 51.15 H new ATOM 0 HB2 LYS A 69 -2.038 11.974 14.328 1.00 61.12 H new ATOM 0 HB3 LYS A 69 -2.872 12.413 15.805 1.00 61.12 H new ATOM 0 HG2 LYS A 69 -4.294 10.960 14.480 1.00 14.22 H new ATOM 0 HG3 LYS A 69 -5.013 12.556 14.558 1.00 14.22 H new ATOM 0 HD2 LYS A 69 -4.276 13.097 12.320 1.00 30.41 H new ATOM 0 HD3 LYS A 69 -3.243 11.683 12.247 1.00 30.41 H new ATOM 0 HE2 LYS A 69 -5.218 11.165 10.982 1.00 24.11 H new ATOM 0 HE3 LYS A 69 -5.310 10.237 12.466 1.00 24.11 H new ATOM 0 HZ1 LYS A 69 -7.417 11.284 11.955 1.00 11.31 H new ATOM 0 HZ2 LYS A 69 -6.786 11.923 13.397 1.00 11.31 H new ATOM 0 HZ3 LYS A 69 -6.697 12.822 11.959 1.00 11.31 H new ATOM 1000 N GLY A 70 -0.857 13.898 16.034 1.00 10.25 N ATOM 1001 CA GLY A 70 0.015 14.408 17.076 1.00 23.43 C ATOM 1002 C GLY A 70 -0.607 14.305 18.455 1.00 43.42 C ATOM 1003 O GLY A 70 0.040 14.604 19.460 1.00 70.12 O ATOM 0 H GLY A 70 -0.685 12.929 15.767 1.00 10.25 H new ATOM 0 HA2 GLY A 70 0.954 13.855 17.062 1.00 23.43 H new ATOM 0 HA3 GLY A 70 0.256 15.450 16.866 1.00 23.43 H new ATOM 1007 N LEU A 71 -1.866 13.884 18.504 1.00 4.31 N ATOM 1008 CA LEU A 71 -2.577 13.745 19.770 1.00 23.13 C ATOM 1009 C LEU A 71 -1.708 13.041 20.808 1.00 11.31 C ATOM 1010 O LEU A 71 -0.987 12.095 20.491 1.00 41.30 O ATOM 1011 CB LEU A 71 -3.877 12.966 19.564 1.00 12.24 C ATOM 1012 CG LEU A 71 -3.724 11.497 19.170 1.00 73.14 C ATOM 1013 CD1 LEU A 71 -3.754 10.607 20.402 1.00 30.04 C ATOM 1014 CD2 LEU A 71 -4.816 11.091 18.190 1.00 14.44 C ATOM 0 H LEU A 71 -2.415 13.633 17.682 1.00 4.31 H new ATOM 0 HA LEU A 71 -2.813 14.744 20.138 1.00 23.13 H new ATOM 0 HB2 LEU A 71 -4.457 13.016 20.486 1.00 12.24 H new ATOM 0 HB3 LEU A 71 -4.460 13.469 18.793 1.00 12.24 H new ATOM 0 HG LEU A 71 -2.758 11.371 18.680 1.00 73.14 H new ATOM 0 HD11 LEU A 71 -3.644 9.565 20.101 1.00 30.04 H new ATOM 0 HD12 LEU A 71 -2.936 10.881 21.069 1.00 30.04 H new ATOM 0 HD13 LEU A 71 -4.704 10.736 20.921 1.00 30.04 H new ATOM 0 HD21 LEU A 71 -4.691 10.042 17.920 1.00 14.44 H new ATOM 0 HD22 LEU A 71 -5.792 11.233 18.654 1.00 14.44 H new ATOM 0 HD23 LEU A 71 -4.747 11.707 17.293 1.00 14.44 H new ATOM 1026 N VAL A 72 -1.784 13.508 22.050 1.00 2.33 N ATOM 1027 CA VAL A 72 -1.007 12.922 23.136 1.00 33.11 C ATOM 1028 C VAL A 72 -1.918 12.379 24.232 1.00 64.32 C ATOM 1029 O VAL A 72 -2.705 13.118 24.824 1.00 20.40 O ATOM 1030 CB VAL A 72 -0.038 13.949 23.751 1.00 32.13 C ATOM 1031 CG1 VAL A 72 -0.791 15.194 24.196 1.00 22.43 C ATOM 1032 CG2 VAL A 72 0.723 13.332 24.915 1.00 63.13 C ATOM 0 H VAL A 72 -2.376 14.290 22.329 1.00 2.33 H new ATOM 0 HA VAL A 72 -0.431 12.102 22.707 1.00 33.11 H new ATOM 0 HB VAL A 72 0.684 14.243 22.989 1.00 32.13 H new ATOM 0 HG11 VAL A 72 -0.090 15.908 24.628 1.00 22.43 H new ATOM 0 HG12 VAL A 72 -1.286 15.646 23.337 1.00 22.43 H new ATOM 0 HG13 VAL A 72 -1.537 14.921 24.943 1.00 22.43 H new ATOM 0 HG21 VAL A 72 1.403 14.071 25.338 1.00 63.13 H new ATOM 0 HG22 VAL A 72 0.018 13.008 25.680 1.00 63.13 H new ATOM 0 HG23 VAL A 72 1.294 12.473 24.562 1.00 63.13 H new ATOM 1042 N THR A 73 -1.805 11.081 24.498 1.00 2.01 N ATOM 1043 CA THR A 73 -2.618 10.438 25.522 1.00 23.43 C ATOM 1044 C THR A 73 -1.789 10.115 26.760 1.00 3.33 C ATOM 1045 O THR A 73 -0.582 9.891 26.670 1.00 14.35 O ATOM 1046 CB THR A 73 -3.260 9.140 24.997 1.00 51.04 C ATOM 1047 OG1 THR A 73 -3.444 9.224 23.579 1.00 62.20 O ATOM 1048 CG2 THR A 73 -4.599 8.887 25.673 1.00 72.35 C ATOM 0 H THR A 73 -1.158 10.455 24.018 1.00 2.01 H new ATOM 0 HA THR A 73 -3.405 11.143 25.788 1.00 23.43 H new ATOM 0 HB THR A 73 -2.592 8.310 25.228 1.00 51.04 H new ATOM 0 HG1 THR A 73 -4.397 9.333 23.379 1.00 62.20 H new ATOM 0 HG21 THR A 73 -5.033 7.965 25.286 1.00 72.35 H new ATOM 0 HG22 THR A 73 -4.452 8.795 26.749 1.00 72.35 H new ATOM 0 HG23 THR A 73 -5.273 9.719 25.469 1.00 72.35 H new ATOM 1056 N GLY A 74 -2.444 10.093 27.917 1.00 74.01 N ATOM 1057 CA GLY A 74 -1.751 9.796 29.157 1.00 53.41 C ATOM 1058 C GLY A 74 -2.263 8.533 29.819 1.00 33.24 C ATOM 1059 O GLY A 74 -3.358 8.062 29.510 1.00 14.13 O ATOM 0 H GLY A 74 -3.442 10.276 28.018 1.00 74.01 H new ATOM 0 HA2 GLY A 74 -0.685 9.691 28.957 1.00 53.41 H new ATOM 0 HA3 GLY A 74 -1.866 10.635 29.844 1.00 53.41 H new ATOM 1063 N ILE A 75 -1.470 7.981 30.731 1.00 5.42 N ATOM 1064 CA ILE A 75 -1.849 6.764 31.438 1.00 40.40 C ATOM 1065 C ILE A 75 -2.023 7.027 32.930 1.00 73.20 C ATOM 1066 O ILE A 75 -2.996 6.583 33.539 1.00 21.42 O ATOM 1067 CB ILE A 75 -0.803 5.651 31.243 1.00 72.32 C ATOM 1068 CG1 ILE A 75 -0.651 5.318 29.757 1.00 14.30 C ATOM 1069 CG2 ILE A 75 -1.197 4.411 32.031 1.00 22.52 C ATOM 1070 CD1 ILE A 75 0.358 4.225 29.482 1.00 12.54 C ATOM 0 H ILE A 75 -0.560 8.358 30.998 1.00 5.42 H new ATOM 0 HA ILE A 75 -2.799 6.436 31.016 1.00 40.40 H new ATOM 0 HB ILE A 75 0.158 6.006 31.617 1.00 72.32 H new ATOM 0 HG12 ILE A 75 -1.620 5.015 29.360 1.00 14.30 H new ATOM 0 HG13 ILE A 75 -0.354 6.219 29.220 1.00 14.30 H new ATOM 0 HG21 ILE A 75 -0.448 3.633 31.883 1.00 22.52 H new ATOM 0 HG22 ILE A 75 -1.259 4.658 33.091 1.00 22.52 H new ATOM 0 HG23 ILE A 75 -2.166 4.052 31.684 1.00 22.52 H new ATOM 0 HD11 ILE A 75 0.413 4.042 28.409 1.00 12.54 H new ATOM 0 HD12 ILE A 75 1.337 4.533 29.848 1.00 12.54 H new ATOM 0 HD13 ILE A 75 0.052 3.311 29.991 1.00 12.54 H new ATOM 1082 N ALA A 76 -1.075 7.753 33.512 1.00 3.12 N ATOM 1083 CA ALA A 76 -1.125 8.078 34.932 1.00 12.42 C ATOM 1084 C ALA A 76 -1.528 9.533 35.148 1.00 2.30 C ATOM 1085 O ALA A 76 -1.691 10.291 34.191 1.00 22.34 O ATOM 1086 CB ALA A 76 0.220 7.798 35.586 1.00 51.41 C ATOM 0 H ALA A 76 -0.263 8.128 33.022 1.00 3.12 H new ATOM 0 HA ALA A 76 -1.881 7.446 35.398 1.00 12.42 H new ATOM 0 HB1 ALA A 76 0.168 8.045 36.646 1.00 51.41 H new ATOM 0 HB2 ALA A 76 0.468 6.743 35.471 1.00 51.41 H new ATOM 0 HB3 ALA A 76 0.990 8.405 35.109 1.00 51.41 H new ATOM 1092 N SER A 77 -1.687 9.917 36.410 1.00 12.35 N ATOM 1093 CA SER A 77 -2.075 11.281 36.751 1.00 34.15 C ATOM 1094 C SER A 77 -0.864 12.208 36.745 1.00 10.41 C ATOM 1095 O SER A 77 0.215 11.835 36.287 1.00 2.23 O ATOM 1096 CB SER A 77 -2.750 11.314 38.124 1.00 23.44 C ATOM 1097 OG SER A 77 -2.937 10.004 38.632 1.00 75.24 O ATOM 0 H SER A 77 -1.553 9.303 37.214 1.00 12.35 H new ATOM 0 HA SER A 77 -2.782 11.630 35.998 1.00 34.15 H new ATOM 0 HB2 SER A 77 -2.141 11.893 38.818 1.00 23.44 H new ATOM 0 HB3 SER A 77 -3.713 11.819 38.047 1.00 23.44 H new ATOM 0 HG SER A 77 -3.884 9.867 38.844 1.00 75.24 H new ATOM 1103 N GLY A 78 -1.052 13.421 37.257 1.00 30.03 N ATOM 1104 CA GLY A 78 0.033 14.384 37.301 1.00 33.03 C ATOM 1105 C GLY A 78 -0.030 15.380 36.160 1.00 2.15 C ATOM 1106 O GLY A 78 -0.750 15.172 35.185 1.00 44.11 O ATOM 0 H GLY A 78 -1.936 13.754 37.642 1.00 30.03 H new ATOM 0 HA2 GLY A 78 0.001 14.920 38.250 1.00 33.03 H new ATOM 0 HA3 GLY A 78 0.986 13.855 37.266 1.00 33.03 H new ATOM 1110 N ASN A 79 0.726 16.467 36.284 1.00 73.33 N ATOM 1111 CA ASN A 79 0.751 17.500 35.255 1.00 3.42 C ATOM 1112 C ASN A 79 2.155 17.660 34.679 1.00 1.24 C ATOM 1113 O ASN A 79 2.807 18.692 34.844 1.00 31.43 O ATOM 1114 CB ASN A 79 0.269 18.834 35.831 1.00 61.45 C ATOM 1115 CG ASN A 79 -0.874 18.660 36.812 1.00 2.21 C ATOM 1116 OD1 ASN A 79 -1.814 17.907 36.560 1.00 31.42 O ATOM 1117 ND2 ASN A 79 -0.797 19.359 37.939 1.00 53.45 N ATOM 0 H ASN A 79 1.328 16.655 37.086 1.00 73.33 H new ATOM 0 HA ASN A 79 0.080 17.195 34.452 1.00 3.42 H new ATOM 0 HB2 ASN A 79 1.100 19.333 36.330 1.00 61.45 H new ATOM 0 HB3 ASN A 79 -0.050 19.484 35.017 1.00 61.45 H new ATOM 0 HD21 ASN A 79 -1.536 19.283 38.638 1.00 53.45 H new ATOM 0 HD22 ASN A 79 0.001 19.971 38.106 1.00 53.45 H new ATOM 1124 N PRO A 80 2.633 16.616 33.987 1.00 72.24 N ATOM 1125 CA PRO A 80 3.963 16.616 33.371 1.00 3.11 C ATOM 1126 C PRO A 80 4.053 17.570 32.184 1.00 32.45 C ATOM 1127 O PRO A 80 3.046 18.122 31.740 1.00 34.42 O ATOM 1128 CB PRO A 80 4.140 15.168 32.908 1.00 61.10 C ATOM 1129 CG PRO A 80 2.753 14.659 32.717 1.00 40.35 C ATOM 1130 CD PRO A 80 1.911 15.354 33.750 1.00 12.43 C ATOM 0 HA PRO A 80 4.733 16.953 34.065 1.00 3.11 H new ATOM 0 HB2 PRO A 80 4.712 15.116 31.982 1.00 61.10 H new ATOM 0 HB3 PRO A 80 4.679 14.578 33.649 1.00 61.10 H new ATOM 0 HG2 PRO A 80 2.393 14.875 31.711 1.00 40.35 H new ATOM 0 HG3 PRO A 80 2.713 13.577 32.845 1.00 40.35 H new ATOM 0 HD2 PRO A 80 0.898 15.532 33.389 1.00 12.43 H new ATOM 0 HD3 PRO A 80 1.825 14.763 34.662 1.00 12.43 H new ATOM 1138 N THR A 81 5.266 17.759 31.674 1.00 55.33 N ATOM 1139 CA THR A 81 5.487 18.647 30.539 1.00 74.42 C ATOM 1140 C THR A 81 6.037 17.881 29.341 1.00 33.31 C ATOM 1141 O THR A 81 7.059 17.202 29.443 1.00 42.11 O ATOM 1142 CB THR A 81 6.460 19.785 30.897 1.00 25.11 C ATOM 1143 OG1 THR A 81 6.336 20.118 32.284 1.00 30.33 O ATOM 1144 CG2 THR A 81 6.188 21.018 30.048 1.00 30.52 C ATOM 0 H THR A 81 6.110 17.309 32.029 1.00 55.33 H new ATOM 0 HA THR A 81 4.519 19.075 30.280 1.00 74.42 H new ATOM 0 HB THR A 81 7.475 19.442 30.696 1.00 25.11 H new ATOM 0 HG1 THR A 81 6.960 20.841 32.504 1.00 30.33 H new ATOM 0 HG21 THR A 81 6.888 21.808 30.319 1.00 30.52 H new ATOM 0 HG22 THR A 81 6.313 20.769 28.994 1.00 30.52 H new ATOM 0 HG23 THR A 81 5.168 21.361 30.221 1.00 30.52 H new ATOM 1152 N ILE A 82 5.353 17.994 28.207 1.00 0.25 N ATOM 1153 CA ILE A 82 5.775 17.313 26.990 1.00 43.42 C ATOM 1154 C ILE A 82 6.580 18.245 26.090 1.00 70.02 C ATOM 1155 O ILE A 82 6.103 19.311 25.699 1.00 64.13 O ATOM 1156 CB ILE A 82 4.569 16.771 26.201 1.00 50.13 C ATOM 1157 CG1 ILE A 82 3.599 16.052 27.140 1.00 13.24 C ATOM 1158 CG2 ILE A 82 5.036 15.835 25.096 1.00 41.31 C ATOM 1159 CD1 ILE A 82 2.438 16.914 27.585 1.00 1.34 C ATOM 0 H ILE A 82 4.504 18.551 28.106 1.00 0.25 H new ATOM 0 HA ILE A 82 6.403 16.477 27.298 1.00 43.42 H new ATOM 0 HB ILE A 82 4.047 17.611 25.743 1.00 50.13 H new ATOM 0 HG12 ILE A 82 3.211 15.165 26.639 1.00 13.24 H new ATOM 0 HG13 ILE A 82 4.144 15.709 28.019 1.00 13.24 H new ATOM 0 HG21 ILE A 82 4.172 15.460 24.547 1.00 41.31 H new ATOM 0 HG22 ILE A 82 5.692 16.376 24.414 1.00 41.31 H new ATOM 0 HG23 ILE A 82 5.579 14.997 25.534 1.00 41.31 H new ATOM 0 HD11 ILE A 82 1.792 16.339 28.248 1.00 1.34 H new ATOM 0 HD12 ILE A 82 2.816 17.788 28.115 1.00 1.34 H new ATOM 0 HD13 ILE A 82 1.869 17.236 26.713 1.00 1.34 H new ATOM 1171 N ILE A 83 7.801 17.835 25.764 1.00 60.11 N ATOM 1172 CA ILE A 83 8.671 18.632 24.907 1.00 33.53 C ATOM 1173 C ILE A 83 8.763 18.032 23.508 1.00 24.13 C ATOM 1174 O ILE A 83 8.918 16.821 23.350 1.00 50.42 O ATOM 1175 CB ILE A 83 10.088 18.749 25.498 1.00 1.51 C ATOM 1176 CG1 ILE A 83 10.028 19.332 26.911 1.00 2.45 C ATOM 1177 CG2 ILE A 83 10.966 19.610 24.601 1.00 33.32 C ATOM 1178 CD1 ILE A 83 9.442 20.726 26.966 1.00 21.21 C ATOM 0 H ILE A 83 8.210 16.956 26.080 1.00 60.11 H new ATOM 0 HA ILE A 83 8.229 19.626 24.845 1.00 33.53 H new ATOM 0 HB ILE A 83 10.526 17.752 25.555 1.00 1.51 H new ATOM 0 HG12 ILE A 83 9.434 18.672 27.543 1.00 2.45 H new ATOM 0 HG13 ILE A 83 11.034 19.353 27.330 1.00 2.45 H new ATOM 0 HG21 ILE A 83 11.965 19.684 25.032 1.00 33.32 H new ATOM 0 HG22 ILE A 83 11.030 19.157 23.612 1.00 33.32 H new ATOM 0 HG23 ILE A 83 10.533 20.607 24.516 1.00 33.32 H new ATOM 0 HD11 ILE A 83 9.431 21.075 27.998 1.00 21.21 H new ATOM 0 HD12 ILE A 83 10.049 21.400 26.361 1.00 21.21 H new ATOM 0 HD13 ILE A 83 8.424 20.708 26.578 1.00 21.21 H new ATOM 1190 N ALA A 84 8.670 18.888 22.496 1.00 14.02 N ATOM 1191 CA ALA A 84 8.747 18.444 21.110 1.00 32.41 C ATOM 1192 C ALA A 84 10.025 18.942 20.444 1.00 13.41 C ATOM 1193 O ALA A 84 10.429 20.090 20.634 1.00 64.05 O ATOM 1194 CB ALA A 84 7.526 18.917 20.335 1.00 10.22 C ATOM 0 H ALA A 84 8.541 19.893 22.610 1.00 14.02 H new ATOM 0 HA ALA A 84 8.767 17.354 21.104 1.00 32.41 H new ATOM 0 HB1 ALA A 84 7.597 18.578 19.301 1.00 10.22 H new ATOM 0 HB2 ALA A 84 6.625 18.507 20.790 1.00 10.22 H new ATOM 0 HB3 ALA A 84 7.480 20.006 20.357 1.00 10.22 H new ATOM 1200 N THR A 85 10.658 18.073 19.663 1.00 31.40 N ATOM 1201 CA THR A 85 11.891 18.424 18.970 1.00 1.14 C ATOM 1202 C THR A 85 11.771 18.173 17.472 1.00 55.44 C ATOM 1203 O THR A 85 11.460 17.063 17.041 1.00 33.52 O ATOM 1204 CB THR A 85 13.090 17.627 19.518 1.00 71.31 C ATOM 1205 OG1 THR A 85 12.780 17.105 20.815 1.00 1.31 O ATOM 1206 CG2 THR A 85 14.330 18.503 19.601 1.00 4.31 C ATOM 0 H THR A 85 10.337 17.120 19.494 1.00 31.40 H new ATOM 0 HA THR A 85 12.060 19.487 19.145 1.00 1.14 H new ATOM 0 HB THR A 85 13.293 16.803 18.834 1.00 71.31 H new ATOM 0 HG1 THR A 85 13.547 16.598 21.155 1.00 1.31 H new ATOM 0 HG21 THR A 85 15.163 17.918 19.991 1.00 4.31 H new ATOM 0 HG22 THR A 85 14.581 18.874 18.607 1.00 4.31 H new ATOM 0 HG23 THR A 85 14.136 19.346 20.265 1.00 4.31 H new ATOM 1214 N TYR A 86 12.019 19.212 16.681 1.00 33.32 N ATOM 1215 CA TYR A 86 11.936 19.104 15.229 1.00 1.15 C ATOM 1216 C TYR A 86 12.848 20.125 14.555 1.00 74.32 C ATOM 1217 O TYR A 86 12.535 21.313 14.502 1.00 44.53 O ATOM 1218 CB TYR A 86 10.493 19.306 14.763 1.00 22.44 C ATOM 1219 CG TYR A 86 9.726 20.315 15.587 1.00 21.04 C ATOM 1220 CD1 TYR A 86 9.740 21.665 15.257 1.00 23.35 C ATOM 1221 CD2 TYR A 86 8.988 19.919 16.696 1.00 2.41 C ATOM 1222 CE1 TYR A 86 9.042 22.591 16.008 1.00 74.23 C ATOM 1223 CE2 TYR A 86 8.285 20.838 17.451 1.00 3.21 C ATOM 1224 CZ TYR A 86 8.315 22.173 17.103 1.00 23.41 C ATOM 1225 OH TYR A 86 7.618 23.091 17.854 1.00 54.15 O ATOM 0 H TYR A 86 12.279 20.138 17.021 1.00 33.32 H new ATOM 0 HA TYR A 86 12.266 18.105 14.944 1.00 1.15 H new ATOM 0 HB2 TYR A 86 10.498 19.628 13.722 1.00 22.44 H new ATOM 0 HB3 TYR A 86 9.972 18.349 14.798 1.00 22.44 H new ATOM 0 HD1 TYR A 86 10.306 21.996 14.399 1.00 23.35 H new ATOM 0 HD2 TYR A 86 8.964 18.875 16.972 1.00 2.41 H new ATOM 0 HE1 TYR A 86 9.066 23.637 15.739 1.00 74.23 H new ATOM 0 HE2 TYR A 86 7.715 20.513 18.309 1.00 3.21 H new ATOM 0 HH TYR A 86 7.745 23.987 17.477 1.00 54.15 H new ATOM 1235 N GLY A 87 13.977 19.650 14.039 1.00 25.21 N ATOM 1236 CA GLY A 87 14.918 20.533 13.374 1.00 72.52 C ATOM 1237 C GLY A 87 15.540 21.538 14.322 1.00 23.45 C ATOM 1238 O GLY A 87 16.051 21.169 15.380 1.00 45.31 O ATOM 0 H GLY A 87 14.257 18.670 14.069 1.00 25.21 H new ATOM 0 HA2 GLY A 87 15.706 19.938 12.913 1.00 72.52 H new ATOM 0 HA3 GLY A 87 14.408 21.064 12.571 1.00 72.52 H new ATOM 1242 N SER A 88 15.499 22.811 13.944 1.00 50.05 N ATOM 1243 CA SER A 88 16.068 23.872 14.766 1.00 44.11 C ATOM 1244 C SER A 88 14.995 24.522 15.634 1.00 62.20 C ATOM 1245 O SER A 88 15.251 25.509 16.323 1.00 4.31 O ATOM 1246 CB SER A 88 16.735 24.929 13.883 1.00 71.33 C ATOM 1247 OG SER A 88 18.138 24.740 13.833 1.00 5.30 O ATOM 0 H SER A 88 15.077 23.133 13.073 1.00 50.05 H new ATOM 0 HA SER A 88 16.819 23.428 15.419 1.00 44.11 H new ATOM 0 HB2 SER A 88 16.322 24.879 12.875 1.00 71.33 H new ATOM 0 HB3 SER A 88 16.512 25.924 14.270 1.00 71.33 H new ATOM 0 HG SER A 88 18.540 25.427 13.261 1.00 5.30 H new ATOM 1253 N VAL A 89 13.791 23.960 15.595 1.00 21.10 N ATOM 1254 CA VAL A 89 12.678 24.483 16.378 1.00 31.52 C ATOM 1255 C VAL A 89 12.069 23.398 17.260 1.00 23.00 C ATOM 1256 O VAL A 89 12.031 22.227 16.884 1.00 74.44 O ATOM 1257 CB VAL A 89 11.579 25.068 15.471 1.00 62.51 C ATOM 1258 CG1 VAL A 89 10.492 25.726 16.306 1.00 52.32 C ATOM 1259 CG2 VAL A 89 12.177 26.057 14.482 1.00 74.02 C ATOM 0 H VAL A 89 13.562 23.143 15.030 1.00 21.10 H new ATOM 0 HA VAL A 89 13.080 25.277 17.008 1.00 31.52 H new ATOM 0 HB VAL A 89 11.125 24.254 14.906 1.00 62.51 H new ATOM 0 HG11 VAL A 89 9.724 26.134 15.648 1.00 52.32 H new ATOM 0 HG12 VAL A 89 10.045 24.986 16.970 1.00 52.32 H new ATOM 0 HG13 VAL A 89 10.926 26.531 16.899 1.00 52.32 H new ATOM 0 HG21 VAL A 89 11.387 26.461 13.849 1.00 74.02 H new ATOM 0 HG22 VAL A 89 12.657 26.870 15.026 1.00 74.02 H new ATOM 0 HG23 VAL A 89 12.916 25.549 13.861 1.00 74.02 H new ATOM 1269 N SER A 90 11.594 23.796 18.436 1.00 43.42 N ATOM 1270 CA SER A 90 10.990 22.858 19.374 1.00 71.42 C ATOM 1271 C SER A 90 9.688 23.417 19.939 1.00 31.10 C ATOM 1272 O SER A 90 9.481 24.629 19.969 1.00 2.32 O ATOM 1273 CB SER A 90 11.962 22.546 20.514 1.00 53.04 C ATOM 1274 OG SER A 90 12.793 23.659 20.794 1.00 52.01 O ATOM 0 H SER A 90 11.616 24.762 18.762 1.00 43.42 H new ATOM 0 HA SER A 90 10.766 21.937 18.835 1.00 71.42 H new ATOM 0 HB2 SER A 90 11.403 22.272 21.408 1.00 53.04 H new ATOM 0 HB3 SER A 90 12.577 21.687 20.247 1.00 53.04 H new ATOM 0 HG SER A 90 13.404 23.435 21.527 1.00 52.01 H new ATOM 1280 N GLY A 91 8.812 22.522 20.387 1.00 53.54 N ATOM 1281 CA GLY A 91 7.540 22.944 20.945 1.00 43.42 C ATOM 1282 C GLY A 91 7.354 22.483 22.377 1.00 70.14 C ATOM 1283 O GLY A 91 8.228 21.829 22.943 1.00 20.35 O ATOM 0 H GLY A 91 8.960 21.513 20.373 1.00 53.54 H new ATOM 0 HA2 GLY A 91 7.472 24.031 20.905 1.00 43.42 H new ATOM 0 HA3 GLY A 91 6.729 22.551 20.332 1.00 43.42 H new ATOM 1287 N ASN A 92 6.212 22.826 22.963 1.00 32.23 N ATOM 1288 CA ASN A 92 5.915 22.444 24.339 1.00 15.11 C ATOM 1289 C ASN A 92 4.408 22.371 24.570 1.00 2.42 C ATOM 1290 O ASN A 92 3.662 23.262 24.162 1.00 71.02 O ATOM 1291 CB ASN A 92 6.544 23.441 25.314 1.00 11.13 C ATOM 1292 CG ASN A 92 5.810 24.768 25.338 1.00 45.21 C ATOM 1293 OD1 ASN A 92 5.756 25.434 24.190 1.00 50.14 O flip ATOM 1294 ND2 ASN A 92 5.299 25.189 26.376 1.00 11.34 N flip ATOM 0 H ASN A 92 5.477 23.367 22.507 1.00 32.23 H new ATOM 0 HA ASN A 92 6.340 21.456 24.516 1.00 15.11 H new ATOM 0 HB2 ASN A 92 6.547 23.012 26.316 1.00 11.13 H new ATOM 0 HB3 ASN A 92 7.584 23.609 25.036 1.00 11.13 H new ATOM 0 HD21 ASN A 92 5.365 24.643 27.235 1.00 11.34 H new ATOM 0 HD22 ASN A 92 4.809 26.084 26.377 1.00 11.34 H new ATOM 1301 N THR A 93 3.967 21.304 25.229 1.00 53.22 N ATOM 1302 CA THR A 93 2.550 21.114 25.514 1.00 3.22 C ATOM 1303 C THR A 93 2.338 20.626 26.943 1.00 51.14 C ATOM 1304 O THR A 93 3.087 19.784 27.439 1.00 44.43 O ATOM 1305 CB THR A 93 1.911 20.107 24.539 1.00 11.44 C ATOM 1306 OG1 THR A 93 2.277 18.772 24.904 1.00 3.01 O ATOM 1307 CG2 THR A 93 2.349 20.386 23.109 1.00 14.14 C ATOM 0 H THR A 93 4.571 20.558 25.575 1.00 53.22 H new ATOM 0 HA THR A 93 2.069 22.084 25.389 1.00 3.22 H new ATOM 0 HB THR A 93 0.828 20.215 24.598 1.00 11.44 H new ATOM 0 HG1 THR A 93 2.234 18.194 24.114 1.00 3.01 H new ATOM 0 HG21 THR A 93 1.885 19.662 22.439 1.00 14.14 H new ATOM 0 HG22 THR A 93 2.043 21.393 22.824 1.00 14.14 H new ATOM 0 HG23 THR A 93 3.434 20.303 23.038 1.00 14.14 H new ATOM 1315 N ILE A 94 1.312 21.159 27.599 1.00 64.25 N ATOM 1316 CA ILE A 94 1.001 20.775 28.970 1.00 42.21 C ATOM 1317 C ILE A 94 -0.309 19.998 29.039 1.00 10.14 C ATOM 1318 O ILE A 94 -1.351 20.475 28.589 1.00 54.14 O ATOM 1319 CB ILE A 94 0.904 22.006 29.891 1.00 65.04 C ATOM 1320 CG1 ILE A 94 0.052 23.095 29.235 1.00 23.31 C ATOM 1321 CG2 ILE A 94 2.293 22.536 30.214 1.00 24.11 C ATOM 1322 CD1 ILE A 94 -0.184 24.295 30.125 1.00 20.21 C ATOM 0 H ILE A 94 0.683 21.857 27.203 1.00 64.25 H new ATOM 0 HA ILE A 94 1.817 20.138 29.313 1.00 42.21 H new ATOM 0 HB ILE A 94 0.424 21.707 30.823 1.00 65.04 H new ATOM 0 HG12 ILE A 94 0.540 23.424 28.318 1.00 23.31 H new ATOM 0 HG13 ILE A 94 -0.910 22.670 28.949 1.00 23.31 H new ATOM 0 HG21 ILE A 94 2.208 23.406 30.866 1.00 24.11 H new ATOM 0 HG22 ILE A 94 2.870 21.761 30.717 1.00 24.11 H new ATOM 0 HG23 ILE A 94 2.797 22.822 29.291 1.00 24.11 H new ATOM 0 HD11 ILE A 94 -0.795 25.026 29.596 1.00 20.21 H new ATOM 0 HD12 ILE A 94 -0.700 23.980 31.032 1.00 20.21 H new ATOM 0 HD13 ILE A 94 0.773 24.745 30.390 1.00 20.21 H new ATOM 1334 N LEU A 95 -0.250 18.799 29.609 1.00 42.24 N ATOM 1335 CA LEU A 95 -1.432 17.955 29.740 1.00 54.33 C ATOM 1336 C LEU A 95 -1.745 17.681 31.207 1.00 34.41 C ATOM 1337 O LEU A 95 -0.867 17.295 31.980 1.00 50.25 O ATOM 1338 CB LEU A 95 -1.226 16.635 28.995 1.00 54.33 C ATOM 1339 CG LEU A 95 -2.488 15.817 28.717 1.00 10.12 C ATOM 1340 CD1 LEU A 95 -3.512 16.653 27.965 1.00 45.05 C ATOM 1341 CD2 LEU A 95 -2.146 14.558 27.934 1.00 24.14 C ATOM 0 H LEU A 95 0.604 18.390 29.988 1.00 42.24 H new ATOM 0 HA LEU A 95 -2.277 18.485 29.300 1.00 54.33 H new ATOM 0 HB2 LEU A 95 -0.740 16.850 28.044 1.00 54.33 H new ATOM 0 HB3 LEU A 95 -0.537 16.018 29.573 1.00 54.33 H new ATOM 0 HG LEU A 95 -2.923 15.520 29.672 1.00 10.12 H new ATOM 0 HD11 LEU A 95 -4.403 16.054 27.776 1.00 45.05 H new ATOM 0 HD12 LEU A 95 -3.780 17.524 28.563 1.00 45.05 H new ATOM 0 HD13 LEU A 95 -3.088 16.981 27.016 1.00 45.05 H new ATOM 0 HD21 LEU A 95 -3.056 13.988 27.745 1.00 24.14 H new ATOM 0 HD22 LEU A 95 -1.687 14.833 26.985 1.00 24.14 H new ATOM 0 HD23 LEU A 95 -1.450 13.949 28.510 1.00 24.14 H new ATOM 1353 N THR A 96 -3.004 17.880 31.586 1.00 72.42 N ATOM 1354 CA THR A 96 -3.434 17.653 32.960 1.00 61.42 C ATOM 1355 C THR A 96 -4.219 16.352 33.082 1.00 34.15 C ATOM 1356 O THR A 96 -5.357 16.256 32.621 1.00 22.11 O ATOM 1357 CB THR A 96 -4.303 18.815 33.476 1.00 74.33 C ATOM 1358 OG1 THR A 96 -3.663 20.065 33.201 1.00 5.41 O ATOM 1359 CG2 THR A 96 -4.550 18.683 34.971 1.00 54.30 C ATOM 0 H THR A 96 -3.744 18.198 30.960 1.00 72.42 H new ATOM 0 HA THR A 96 -2.531 17.588 33.567 1.00 61.42 H new ATOM 0 HB THR A 96 -5.263 18.779 32.961 1.00 74.33 H new ATOM 0 HG1 THR A 96 -4.315 20.690 32.822 1.00 5.41 H new ATOM 0 HG21 THR A 96 -5.166 19.515 35.313 1.00 54.30 H new ATOM 0 HG22 THR A 96 -5.064 17.744 35.173 1.00 54.30 H new ATOM 0 HG23 THR A 96 -3.597 18.696 35.500 1.00 54.30 H new ATOM 1367 N VAL A 97 -3.606 15.352 33.708 1.00 10.20 N ATOM 1368 CA VAL A 97 -4.249 14.057 33.893 1.00 32.11 C ATOM 1369 C VAL A 97 -4.449 13.749 35.373 1.00 54.22 C ATOM 1370 O VAL A 97 -3.512 13.828 36.166 1.00 72.32 O ATOM 1371 CB VAL A 97 -3.426 12.925 33.251 1.00 25.54 C ATOM 1372 CG1 VAL A 97 -3.667 12.873 31.751 1.00 70.15 C ATOM 1373 CG2 VAL A 97 -1.946 13.104 33.556 1.00 40.12 C ATOM 0 H VAL A 97 -2.665 15.414 34.096 1.00 10.20 H new ATOM 0 HA VAL A 97 -5.221 14.113 33.402 1.00 32.11 H new ATOM 0 HB VAL A 97 -3.750 11.976 33.679 1.00 25.54 H new ATOM 0 HG11 VAL A 97 -3.077 12.067 31.315 1.00 70.15 H new ATOM 0 HG12 VAL A 97 -4.725 12.693 31.558 1.00 70.15 H new ATOM 0 HG13 VAL A 97 -3.373 13.822 31.302 1.00 70.15 H new ATOM 0 HG21 VAL A 97 -1.379 12.295 33.095 1.00 40.12 H new ATOM 0 HG22 VAL A 97 -1.605 14.059 33.157 1.00 40.12 H new ATOM 0 HG23 VAL A 97 -1.792 13.086 34.635 1.00 40.12 H new ATOM 1383 N ASN A 98 -5.678 13.398 35.737 1.00 33.15 N ATOM 1384 CA ASN A 98 -6.002 13.078 37.123 1.00 72.10 C ATOM 1385 C ASN A 98 -6.488 11.637 37.249 1.00 4.03 C ATOM 1386 O ASN A 98 -7.619 11.385 37.664 1.00 52.22 O ATOM 1387 CB ASN A 98 -7.071 14.036 37.653 1.00 2.11 C ATOM 1388 CG ASN A 98 -6.679 15.491 37.482 1.00 41.13 C ATOM 1389 OD1 ASN A 98 -6.880 16.020 36.280 1.00 14.44 O flip ATOM 1390 ND2 ASN A 98 -6.201 16.131 38.418 1.00 10.24 N flip ATOM 0 H ASN A 98 -6.465 13.328 35.092 1.00 33.15 H new ATOM 0 HA ASN A 98 -5.095 13.191 37.717 1.00 72.10 H new ATOM 0 HB2 ASN A 98 -8.011 13.852 37.132 1.00 2.11 H new ATOM 0 HB3 ASN A 98 -7.247 13.832 38.709 1.00 2.11 H new ATOM 0 HD21 ASN A 98 -6.064 15.684 39.324 1.00 10.24 H new ATOM 0 HD22 ASN A 98 -5.942 17.109 38.287 1.00 10.24 H new ATOM 1397 N LYS A 99 -5.624 10.694 36.890 1.00 64.24 N ATOM 1398 CA LYS A 99 -5.962 9.277 36.964 1.00 45.42 C ATOM 1399 C LYS A 99 -6.143 8.836 38.413 1.00 42.52 C ATOM 1400 O LYS A 99 -5.169 8.569 39.118 1.00 13.32 O ATOM 1401 CB LYS A 99 -4.871 8.436 36.296 1.00 13.22 C ATOM 1402 CG LYS A 99 -5.202 6.955 36.228 1.00 3.33 C ATOM 1403 CD LYS A 99 -6.143 6.646 35.077 1.00 54.35 C ATOM 1404 CE LYS A 99 -7.053 5.471 35.400 1.00 64.41 C ATOM 1405 NZ LYS A 99 -8.265 5.453 34.536 1.00 14.31 N ATOM 0 H LYS A 99 -4.684 10.885 36.545 1.00 64.24 H new ATOM 0 HA LYS A 99 -6.904 9.125 36.436 1.00 45.42 H new ATOM 0 HB2 LYS A 99 -4.704 8.809 35.286 1.00 13.22 H new ATOM 0 HB3 LYS A 99 -3.937 8.566 36.843 1.00 13.22 H new ATOM 0 HG2 LYS A 99 -4.283 6.381 36.112 1.00 3.33 H new ATOM 0 HG3 LYS A 99 -5.658 6.640 37.167 1.00 3.33 H new ATOM 0 HD2 LYS A 99 -6.748 7.525 34.854 1.00 54.35 H new ATOM 0 HD3 LYS A 99 -5.563 6.423 34.182 1.00 54.35 H new ATOM 0 HE2 LYS A 99 -6.502 4.539 35.272 1.00 64.41 H new ATOM 0 HE3 LYS A 99 -7.354 5.522 36.446 1.00 64.41 H new ATOM 0 HZ1 LYS A 99 -9.094 5.737 35.095 1.00 14.31 H new ATOM 0 HZ2 LYS A 99 -8.137 6.116 33.745 1.00 14.31 H new ATOM 0 HZ3 LYS A 99 -8.411 4.493 34.163 1.00 14.31 H new ATOM 1419 N THR A 100 -7.396 8.761 38.851 1.00 25.25 N ATOM 1420 CA THR A 100 -7.704 8.352 40.216 1.00 72.12 C ATOM 1421 C THR A 100 -7.103 6.987 40.530 1.00 20.20 C ATOM 1422 O THR A 100 -6.751 6.701 41.675 1.00 54.41 O ATOM 1423 CB THR A 100 -9.225 8.298 40.456 1.00 42.02 C ATOM 1424 OG1 THR A 100 -9.494 7.998 41.830 1.00 44.21 O ATOM 1425 CG2 THR A 100 -9.876 7.250 39.566 1.00 12.20 C ATOM 0 H THR A 100 -8.213 8.978 38.281 1.00 25.25 H new ATOM 0 HA THR A 100 -7.265 9.100 40.877 1.00 72.12 H new ATOM 0 HB THR A 100 -9.644 9.273 40.209 1.00 42.02 H new ATOM 0 HG1 THR A 100 -10.463 7.967 41.974 1.00 44.21 H new ATOM 0 HG21 THR A 100 -10.950 7.230 39.753 1.00 12.20 H new ATOM 0 HG22 THR A 100 -9.694 7.497 38.520 1.00 12.20 H new ATOM 0 HG23 THR A 100 -9.451 6.271 39.786 1.00 12.20 H new